3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid

C12H22N2O4 — CID 55011890

IUPAC3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCCCC1CNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-4-2-3-5-9(8)6-13-12(18)14-10(7-15)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyZVLCBDROXVYBOP-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.56
Rot. Bonds5

About 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid

3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid (PubChem CID 55011890) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
PubChem CID55011890
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
SMILESCC1CCCCC1CNC(=O)NC(CO)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-4-2-3-5-9(8)6-13-12(18)14-10(7-15)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyZVLCBDROXVYBOP-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic 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-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107829563
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419896
3-hydroxy-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 79350592
2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 103995941
2-methyl-2-[(2-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 79801680
(2R)-2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]-3-hydroxypropanoic acid
CID 80757650

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid (CID 55011890) is 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid is CC1CCCCC1CNC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
The InChIKey is ZVLCBDROXVYBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-4-2-3-5-9(8)6-13-12(18)14-10(7-15)11(16)17/h8-10,15H,2-7H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid?
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 55011890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).