1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H21NO4 — CID 62096453

IUPAC1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CCO)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO4/c15-9-8-14(10-4-2-1-3-5-10)11(16)13(6-7-13)12(17)18/h10,15H,1-9H2,(H,17,18)
InChIKeyUQCQITUKXABIEB-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.00
Rot. Bonds5

About 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096453) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096453
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N(CCO)C2CCCCC2)CC1
InChIInChI=1S/C13H21NO4/c15-9-8-14(10-4-2-1-3-5-10)11(16)13(6-7-13)12(17)18/h10,15H,1-9H2,(H,17,18)
InChIKeyUQCQITUKXABIEB-UHFFFAOYSA-N
XLogP1.00
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102866019
1-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 80587914
1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095220
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
1-cyano-N-cyclopentyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 80598505
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 76921369
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80599261
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364
1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097310
N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80596877
1-(aminomethyl)-N-cyclopentyl-N-(2-hydroxyethyl)-4-methylcyclohexane-1-carboxamide
CID 115441773

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62096453) is 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)N(CCO)C2CCCCC2)CC1.
What is the InChIKey of 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UQCQITUKXABIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c15-9-8-14(10-4-2-1-3-5-10)11(16)13(6-7-13)12(17)18/h10,15H,1-9H2,(H,17,18).
What are the key properties of 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).