3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H23N3O3 — CID 66030259

IUPAC3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCN1CCCC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H23N3O3/c17-12(18)10-3-4-11(9-10)15-13(19)14-5-8-16-6-1-2-7-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19)
InChIKeyVHVJEXZJSRKLTR-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds5

About 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030259) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030259
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NCCN1CCCC1)NC1CCC(C(=O)O)C1
InChIInChI=1S/C13H23N3O3/c17-12(18)10-3-4-11(9-10)15-13(19)14-5-8-16-6-1-2-7-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19)
InChIKeyVHVJEXZJSRKLTR-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(2-thiomorpholin-4-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106326297
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-(4-methylcyclohexyl)-3-(2-piperidin-1-ylethyl)urea;propan-2-one
CID 142100841
cis-(1R,3S)-3-[2-(1-methylpiperidin-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106320196
3-(2-cyclopropylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032847
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-[(5-amino-5-oxopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173693
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
cis-(1R,3S)-3-(2-pyrrolidin-1-ylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319901
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981
3-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032224

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 66030259) is 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NCCN1CCCC1)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VHVJEXZJSRKLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-12(18)10-3-4-11(9-10)15-13(19)14-5-8-16-6-1-2-7-16/h10-11H,1-9H2,(H,17,18)(H2,14,15,19).
What are the key properties of 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).