(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid

C8H17NO4 — CID 58488948

IUPAC(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid
SMILESCOC(CO)CCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO4/c1-13-6(5-10)3-2-4-7(9)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyCZVRBJJNIROGLX-MLWJPKLSSA-N
MW191.23 g/mol
LogP-0.42
Rot. Bonds7

About (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid

(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid (PubChem CID 58488948) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid
PubChem CID58488948
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid
SMILESCOC(CO)CCC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO4/c1-13-6(5-10)3-2-4-7(9)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyCZVRBJJNIROGLX-MLWJPKLSSA-N
XLogP-0.42
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-diaminoheptanedioic acid
CID 865
acetic acid;2-methoxyhexan-1-ol
CID 71318556
2-amino-5-methoxypentanoic acid
CID 18361135
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-N-(5-hydroxy-4-methoxypentyl)-4-methylpentanamide
CID 163422080
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
(2S,7S)-2-amino-7,8-dihydroxyoctanoic acid
CID 177277676
(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
CID 10679200
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid?
The IUPAC name of (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid (CID 58488948) is (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid.
What is the SMILES notation for (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid?
The canonical SMILES for (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid is COC(CO)CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid?
The InChIKey is CZVRBJJNIROGLX-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H17NO4/c1-13-6(5-10)3-2-4-7(9)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid?
(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid is sourced from PubChem (CID 58488948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).