5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid

C14H26N2O4 — CID 104686476

IUPAC5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N(CCO)C1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(13(18)19)5-4-8-15-14(20)16(9-10-17)12-6-2-3-7-12/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyWVXPHNKERZGECT-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds8

About 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid

5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 104686476) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID104686476
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)N(CCO)C1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-11(13(18)19)5-4-8-15-14(20)16(9-10-17)12-6-2-3-7-12/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyWVXPHNKERZGECT-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541892
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007383
(2R)-2-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]hexanedioic acid
CID 107841430
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541763
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
5-(cyclopentylcarbamoylamino)-2-methylpentanoic acid
CID 104682816
7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
CID 102865277
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686220

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid (CID 104686476) is 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid is CC(CCCNC(=O)N(CCO)C1CCCC1)C(=O)O.
What is the InChIKey of 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is WVXPHNKERZGECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(13(18)19)5-4-8-15-14(20)16(9-10-17)12-6-2-3-7-12/h11-12,17H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid?
5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 104686476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).