CAS 1499-55-4|(2S)-2-amino-5-methoxy-5-oxopentanoic acid|L-Glutamic acid 5-methyl ester|(2S)-2-amino-5-methoxy-5-oxopentanoic acid|L-Glutamic acid 5-methyl ester|L-谷氨酸-γ-甲酯|L-Glutamic acid γ-...

General Information

Structure

Molecular Formula

C₆H₁₁NO₄

Molecular Mass

161.15584

Exact Mass

161.06880784

Charge

InChI

InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

InChIKey

ZGEYCCHDTIDZAE-BYPYZUCNSA-N

Canonic Smiles

COC(=O)CC[C@@H](C(=O)O)N

Isomeric Smiles

C(=O)([C@@H](N)CCC(=O)OC)O

Calculated Properties

JChem

Acid pKa

2.0167131

H Acceptors

H Donor

LogD (pH = 5.5)

-3.0484738

LogD (pH = 7.4)

-3.0514863

Log P

-3.0484793

Molar Refractivity

36.0568

Polarizability

14.725156

Polar Surface Area

89.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2S)-2-amino-5-methoxy-5-oxopentanoic acid

Synonyms

L-Glutamic acid 5-methyl esterL-Glutamic acid 5-methyl esterL-谷氨酸-γ-甲酯L-Glutamic acid γ-methyl esterL-谷氨酸 5-甲酯L-Glutamic acid γ-methyl esterL-Glutamic acid 5-methyl esterL-谷氨酸-5-甲酯L-谷氨酸 γ-甲酯L-GLUTAMIC ACID-γ-METHYL ESTERβ-Methyl-L-glutamate(2S)-2-amino-5-methoxy-5-oxopentanoic acid

IUPAC name

(2S)-2-amino-5-methoxy-5-oxopentanoic acid

Names and Identifiers

Registration numbers

EC Number

216-110-9

CAS Number

1499-55-4

Beilstein Number

1725252

PubChem SID

248884592487301924895075162035522