2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid

C13H24N2O4 — CID 62360744

IUPAC2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NC1CCCCC1O)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(2)7-10(12(17)18)15-13(19)14-9-5-3-4-6-11(9)16/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeySFLJPJIQOWYTIN-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.09
Rot. Bonds5

About 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid

2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 62360744) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID62360744
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)NC1CCCCC1O)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-8(2)7-10(12(17)18)15-13(19)14-9-5-3-4-6-11(9)16/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeySFLJPJIQOWYTIN-UHFFFAOYSA-N
XLogP1.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
CID 62365972
(2S)-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80719419
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
(2S)-2-[(2-propan-2-ylcyclohexyl)carbamoylamino]pentanoic acid
CID 107567415
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid (CID 62360744) is 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid is CC(C)CC(NC(=O)NC1CCCCC1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is SFLJPJIQOWYTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(2)7-10(12(17)18)15-13(19)14-9-5-3-4-6-11(9)16/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid?
2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 62360744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).