2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid

C14H26N2O4 — CID 102633457

IUPAC2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C1CCCCC1O)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-9-14(2,12(18)19)15-13(20)16(3)10-7-5-6-8-11(10)17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyGDUNSQXKNHWFFH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.57
Rot. Bonds5

About 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid

2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid (PubChem CID 102633457) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid
PubChem CID102633457
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(C)C1CCCCC1O)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-4-9-14(2,12(18)19)15-13(20)16(3)10-7-5-6-8-11(10)17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyGDUNSQXKNHWFFH-UHFFFAOYSA-N
XLogP1.57
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-methyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]pentanoic acid
CID 62547381
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2-[[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 102633495
2-(ethylamino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631990
2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
CID 102632097
2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
CID 102631757
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-2-methylpentanoic acid
CID 114950941
4-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]benzoic acid
CID 102633588

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid (CID 102633457) is 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)N(C)C1CCCCC1O)C(=O)O.
What is the InChIKey of 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is GDUNSQXKNHWFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-9-14(2,12(18)19)15-13(20)16(3)10-7-5-6-8-11(10)17/h10-11,17H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid?
2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 102633457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).