1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H20N2O3 — CID 16785729

IUPAC1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O3/c15-10(16)12(7-3-4-8-12)14-11(17)13-9-5-1-2-6-9/h9H,1-8H2,(H,15,16)(H2,13,14,17)
InChIKeyUYMGGMJWEQQFHX-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.63
Rot. Bonds3

About 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 16785729) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID16785729
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O3/c15-10(16)12(7-3-4-8-12)14-11(17)13-9-5-1-2-6-9/h9H,1-8H2,(H,15,16)(H2,13,14,17)
InChIKeyUYMGGMJWEQQFHX-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 16785729) is 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCC1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UYMGGMJWEQQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-10(16)12(7-3-4-8-12)14-11(17)13-9-5-1-2-6-9/h9H,1-8H2,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 16785729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).