4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid

C13H24N2O4 — CID 63244717

IUPAC4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
SMILESCC1CCC(CNC(=O)NC(CCO)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9-2-4-10(5-3-9)8-14-13(19)15-11(6-7-16)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyOZTOJOIXBPDOQV-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.95
Rot. Bonds6

About 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid

4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid (PubChem CID 63244717) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
PubChem CID63244717
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
SMILESCC1CCC(CNC(=O)NC(CCO)C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9-2-4-10(5-3-9)8-14-13(19)15-11(6-7-16)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyOZTOJOIXBPDOQV-UHFFFAOYSA-N
XLogP0.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
CID 107827982
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
(2R)-2-[(4-methylcyclohexyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910301
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
(2S)-4-hydroxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]butanoic acid
CID 107827202
(2S)-2-(thian-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567647
(2R)-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567009
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2R)-4-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414550

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid (CID 63244717) is 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid is CC1CCC(CNC(=O)NC(CCO)C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The InChIKey is OZTOJOIXBPDOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-2-4-10(5-3-9)8-14-13(19)15-11(6-7-16)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.95, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 63244717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).