1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C13H19N3O3 — CID 54997563

IUPAC1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESN#CCCN(C(=O)NC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C13H19N3O3/c14-8-3-9-16(10-4-5-10)12(19)15-13(11(17)18)6-1-2-7-13/h10H,1-7,9H2,(H,15,19)(H,17,18)
InChIKeyXCGJHIFCNWIMLK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds5

About 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 54997563) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID54997563
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESN#CCCN(C(=O)NC1(C(=O)O)CCCC1)C1CC1
InChIInChI=1S/C13H19N3O3/c14-8-3-9-16(10-4-5-10)12(19)15-13(11(17)18)6-1-2-7-13/h10H,1-7,9H2,(H,15,19)(H,17,18)
InChIKeyXCGJHIFCNWIMLK-UHFFFAOYSA-N
XLogP1.47
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 54997563) is 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is N#CCCN(C(=O)NC1(C(=O)O)CCCC1)C1CC1.
What is the InChIKey of 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XCGJHIFCNWIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-8-3-9-16(10-4-5-10)12(19)15-13(11(17)18)6-1-2-7-13/h10H,1-7,9H2,(H,15,19)(H,17,18).
What are the key properties of 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54997563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).