4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid

C13H24N2O4 — CID 55004627

IUPAC4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid
SMILESCC1CCCCC1N(C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9-5-3-4-6-11(9)15(2)13(19)14-10(7-8-16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGAUJZGIPNWGFQC-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.04
Rot. Bonds5

About 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid

4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid (PubChem CID 55004627) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid
PubChem CID55004627
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid
SMILESCC1CCCCC1N(C)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-9-5-3-4-6-11(9)15(2)13(19)14-10(7-8-16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyGAUJZGIPNWGFQC-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
CID 107566610
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337
4-hydroxy-2-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61408256
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827539
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 102633310
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 102633263
(2S)-4-hydroxy-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 107827541
4-hydroxy-2-[[methyl(thiolan-3-yl)carbamoyl]amino]butanoic acid
CID 61229307
(2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566149
(2R)-2-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107828390

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid (CID 55004627) is 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid is CC1CCCCC1N(C)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid?
The InChIKey is GAUJZGIPNWGFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-5-3-4-6-11(9)15(2)13(19)14-10(7-8-16)12(17)18/h9-11,16H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid?
4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 55004627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).