3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H20N2O3 — CID 66032847

IUPAC3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCC1CC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c15-11(16)9-3-4-10(7-9)14-12(17)13-6-5-8-1-2-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17)
InChIKeyHRAUJIJEZXDLKA-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.34
Rot. Bonds5

About 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66032847) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID66032847
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCC1CC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c15-11(16)9-3-4-10(7-9)14-12(17)13-6-5-8-1-2-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17)
InChIKeyHRAUJIJEZXDLKA-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320196
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
cis-(1R,3S)-3-(4,4,4-trifluorobutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173658
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
3-(2,2,2-trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032016
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030259
cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173693
cis-(1R,3S)-3-[(3-methylcyclopentyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173106
cis-(1R,3S)-3-(2-ethoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319333
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589
1-(2-cyclopropylethyl)-3-[(1R,2R)-2-methylcyclopropyl]urea
CID 166248887

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 66032847) is 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCCC1CC1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is HRAUJIJEZXDLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)9-3-4-10(7-9)14-12(17)13-6-5-8-1-2-8/h8-10H,1-7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).