2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid

C14H21N3O3 — CID 64701274

IUPAC2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESN#CCCN(C(=O)NC1(CC(=O)O)CCCC1)C1CC1
InChIInChI=1S/C14H21N3O3/c15-8-3-9-17(11-4-5-11)13(20)16-14(10-12(18)19)6-1-2-7-14/h11H,1-7,9-10H2,(H,16,20)(H,18,19)
InChIKeyCZDKLPOCMAOKEB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.86
Rot. Bonds6

About 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64701274) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64701274
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESN#CCCN(C(=O)NC1(CC(=O)O)CCCC1)C1CC1
InChIInChI=1S/C14H21N3O3/c15-8-3-9-17(11-4-5-11)13(20)16-14(10-12(18)19)6-1-2-7-14/h11H,1-7,9-10H2,(H,16,20)(H,18,19)
InChIKeyCZDKLPOCMAOKEB-UHFFFAOYSA-N
XLogP1.86
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 54997563
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080
2-[1-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 102865457
2-[1-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702597
2-[1-[[2-cyanoethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851694
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842220
2-[1-(dipropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702575
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541763

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64701274) is 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid is N#CCCN(C(=O)NC1(CC(=O)O)CCCC1)C1CC1.
What is the InChIKey of 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is CZDKLPOCMAOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-8-3-9-17(11-4-5-11)13(20)16-14(10-12(18)19)6-1-2-7-14/h11H,1-7,9-10H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64701274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).