CAS 24629-25-2|(S)-(+)-Isoleucinol|(2S,3S)-2-amino-3-methylpentan-1-ol|(2S,3S)-2-amino-3-methylpentan-1-ol|(2S,3S)-2-Amino-3-methyl-pentan-1-ol|H-Ile-ol|(2S,3S)-2-Amino-3-methyl-1-pentanol|L-Isoleuc...

General Information

Structure

Molecular Formula

C₆H₁₅NO

Molecular Mass

117.1894

Exact Mass

117.11536411

Charge

InChI

InChI=1S/C6H15NO/c1-3-5(2)6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t5-,6+/m0/s1

InChIKey

VTQHAQXFSHDMHT-NTSWFWBYSA-N

Canonic Smiles

CC[C@@H]([C@@H](CO)N)C

Isomeric Smiles

[C@H](N)([C@H](CC)C)CO

Calculated Properties

JChem

Acid pKa

15.119383

H Acceptors

H Donor

LogD (pH = 5.5)

-2.581455

LogD (pH = 7.4)

-1.9505256

Log P

0.43307802

Molar Refractivity

34.2265

Polarizability

13.926987

Polar Surface Area

46.25

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

(2S,3S)-2-amino-3-methylpentan-1-ol

Synonyms

(S)-(+)-Isoleucinol(2S,3S)-2-Amino-3-methyl-pentan-1-olL-Isoleucinol(2S,3S)-2-Amino-3-methyl-1-pentanolH-Ile-ol(S)-(+)-IsoleucinolL-异亮氨醇(2S,3S)-2-氨基-3-甲基-1-戊醇L-Isoleucinol(S)-(+)-异亮氨醇(2S,3S)-2-AMino-3-Methylpentan-1-olL-异亮氨醇

IUPAC name

(2S,3S)-2-amino-3-methylpentan-1-ol

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

PubChem SID

EC Number