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

C10H18N2O4 — CID 107824951

IUPAC(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
SMILESNC1(C(=O)N[C@@H](CCO)C(=O)O)CCCC1
InChIInChI=1S/C10H18N2O4/c11-10(4-1-2-5-10)9(16)12-7(3-6-13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyREQFLBLWJVTJIG-ZETCQYMHSA-N
MW230.26 g/mol
LogP-0.79
Rot. Bonds5

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

(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107824951) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107824951
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid
SMILESNC1(C(=O)N[C@@H](CCO)C(=O)O)CCCC1
InChIInChI=1S/C10H18N2O4/c11-10(4-1-2-5-10)9(16)12-7(3-6-13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyREQFLBLWJVTJIG-ZETCQYMHSA-N
XLogP-0.79
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-hydroxypropanoic acid
CID 80750294
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61160012
(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 103870336
2-[[1-(aminomethyl)cycloheptanecarbonyl]amino]-4-hydroxybutanoic acid
CID 115443988
2-[(1-aminocyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 61157147
2-[(1-aminocyclopropanecarbonyl)amino]pentanoic acid
CID 65463645
(2S)-2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107825006
1-amino-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 103796589
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid (CID 107824951) is (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid is NC1(C(=O)N[C@@H](CCO)C(=O)O)CCCC1.
What is the InChIKey of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is REQFLBLWJVTJIG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-10(4-1-2-5-10)9(16)12-7(3-6-13)8(14)15/h7,13H,1-6,11H2,(H,12,16)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid?
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107824951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).