4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid

C11H20N2O4 — CID 107836020

IUPAC4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
SMILESNC1(C(=O)NCCC(O)C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O4/c12-11(5-2-1-3-6-11)10(17)13-7-4-8(14)9(15)16/h8,14H,1-7,12H2,(H,13,17)(H,15,16)
InChIKeyUPVWJNKPAULHLY-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.40
Rot. Bonds5

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

4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836020) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107836020
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
SMILESNC1(C(=O)NCCC(O)C(=O)O)CCCCC1
InChIInChI=1S/C11H20N2O4/c12-11(5-2-1-3-6-11)10(17)13-7-4-8(14)9(15)16/h8,14H,1-7,12H2,(H,13,17)(H,15,16)
InChIKeyUPVWJNKPAULHLY-UHFFFAOYSA-N
XLogP-0.40
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid
CID 114006870
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107834001
1-amino-N-(3-methylbutyl)cyclopentane-1-carboxamide
CID 60866848
5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
1-amino-N-(3-methylbutyl)cyclobutane-1-carboxamide
CID 81167864
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
1-amino-N-(3-amino-3-oxopropyl)cyclohexane-1-carboxamide
CID 43553625
(2S)-4-(3-azaspiro[5.5]undecane-3-carbonylamino)-2-hydroxybutanoic acid
CID 107839771
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
4-[(1-ethylcyclobutyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841143
(2S)-4-(adamantane-1-carbonylamino)-2-hydroxybutanoic acid
CID 107833881

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid (CID 107836020) is 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid is NC1(C(=O)NCCC(O)C(=O)O)CCCCC1.
What is the InChIKey of 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is UPVWJNKPAULHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c12-11(5-2-1-3-6-11)10(17)13-7-4-8(14)9(15)16/h8,14H,1-7,12H2,(H,13,17)(H,15,16).
What are the key properties of 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid?
4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).