(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid

C12H22N2O4 — CID 114005381

IUPAC(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NC1CCCCCC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H22N2O4/c15-8-7-10(11(16)17)14-12(18)13-9-5-3-1-2-4-6-9/h9-10,15H,1-8H2,(H,16,17)(H2,13,14,18)/t10-/m1/s1
InChIKeyOVOPVBYZGMHFOG-SNVBAGLBSA-N
MW258.32 g/mol
LogP0.84
Rot. Bonds5

About (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid

(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid (PubChem CID 114005381) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
PubChem CID114005381
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
SMILESO=C(NC1CCCCCC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H22N2O4/c15-8-7-10(11(16)17)14-12(18)13-9-5-3-1-2-4-6-9/h9-10,15H,1-8H2,(H,16,17)(H2,13,14,18)/t10-/m1/s1
InChIKeyOVOPVBYZGMHFOG-SNVBAGLBSA-N
XLogP0.84
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(cycloheptylcarbamoylamino)-4-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

(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-2-(cycloheptylcarbamoylamino)hexanedioic acid
CID 107838293
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
2-(cyclohexylcarbamoylamino)butanoic acid
CID 43469984
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107829012
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791
(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid (CID 114005381) is (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid is O=C(NC1CCCCCC1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid?
The InChIKey is OVOPVBYZGMHFOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O4/c15-8-7-10(11(16)17)14-12(18)13-9-5-3-1-2-4-6-9/h9-10,15H,1-8H2,(H,16,17)(H2,13,14,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid?
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 114005381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).