(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid

C12H21NO4 — CID 107834001

IUPAC(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
SMILESCCC1(C(=O)NCC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-2-12(6-3-4-7-12)11(17)13-8-5-9(14)10(15)16/h9,14H,2-8H2,1H3,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyCJBBZKIVLITYGE-VIFPVBQESA-N
MW243.30 g/mol
LogP0.91
Rot. Bonds6

About (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107834001) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107834001
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
SMILESCCC1(C(=O)NCC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C12H21NO4/c1-2-12(6-3-4-7-12)11(17)13-8-5-9(14)10(15)16/h9,14H,2-8H2,1H3,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKeyCJBBZKIVLITYGE-VIFPVBQESA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic 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

(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(3-aminobutyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119497906
(2S)-4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 114006870
4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107836020
4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841143
1-ethyl-N-[(2R)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 83059320
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
(2S)-4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836511
1-ethyl-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107318578
1-ethyl-N-(4-iodobutyl)cyclopentane-1-carboxamide
CID 106846383
N-(2-chloropropyl)-1-ethylcyclopentane-1-carboxamide
CID 114296561
N-(3,3-difluoro-2-hydroxypropyl)-1-ethylcyclopentane-1-carboxamide
CID 103770291

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid (CID 107834001) is (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid is CCC1(C(=O)NCC[C@H](O)C(=O)O)CCCC1.
What is the InChIKey of (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is CJBBZKIVLITYGE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-12(6-3-4-7-12)11(17)13-8-5-9(14)10(15)16/h9,14H,2-8H2,1H3,(H,13,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107834001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).