2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid

C14H24N2O3 — CID 64700065

IUPAC2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(11-5-6-11)15-13(19)16-14(9-12(17)18)7-3-2-4-8-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKICWMTZBVCHODU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds5

About 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid

2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid (PubChem CID 64700065) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
PubChem CID64700065
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(11-5-6-11)15-13(19)16-14(9-12(17)18)7-3-2-4-8-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKICWMTZBVCHODU-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-(4,4,4-trifluorobutan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 114131763
2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
2-[1-[1-(dimethylamino)propan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 82939315
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid (CID 64700065) is 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid is CC(NC(=O)NC1(CC(=O)O)CCCCC1)C1CC1.
What is the InChIKey of 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid?
The InChIKey is KICWMTZBVCHODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(11-5-6-11)15-13(19)16-14(9-12(17)18)7-3-2-4-8-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid?
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64700065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).