2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 64816348

IUPAC2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C15H26N2O4/c18-10-9-17(11-5-1-2-6-11)15(21)16-13-8-4-3-7-12(13)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyWGZZLOPEAZNBAF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.58
Rot. Bonds5

About 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64816348) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64816348
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C15H26N2O4/c18-10-9-17(11-5-1-2-6-11)15(21)16-13-8-4-3-7-12(13)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20)
InChIKeyWGZZLOPEAZNBAF-UHFFFAOYSA-N
XLogP1.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815568
2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816508
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
2-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102860862
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1R,2R)-2-methoxycyclohexyl]urea
CID 96565801
1-cyclopropyl-1-(2-hydroxyethyl)-3-[(1S,2S)-2-methoxycyclohexyl]urea
CID 96565800
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 102865451
2-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815725
2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816001
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79864609

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 64816348) is 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NC(=O)N(CCO)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WGZZLOPEAZNBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-10-9-17(11-5-1-2-6-11)15(21)16-13-8-4-3-7-12(13)14(19)20/h11-13,18H,1-10H2,(H,16,21)(H,19,20).
What are the key properties of 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).