1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H17N3O3 — CID 82762881

IUPAC1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1cccnc1
InChIInChI=1S/C13H17N3O3/c1-13(11(17)18)6-2-5-10(13)16-12(19)15-9-4-3-7-14-8-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBLCDRBDCMZWGCU-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.85
Rot. Bonds3

About 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 82762881) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID82762881
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)Nc1cccnc1
InChIInChI=1S/C13H17N3O3/c1-13(11(17)18)6-2-5-10(13)16-12(19)15-9-4-3-7-14-8-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyBLCDRBDCMZWGCU-UHFFFAOYSA-N
XLogP1.85
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 82762881) is 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)Nc1cccnc1.
What is the InChIKey of 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is BLCDRBDCMZWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(11(17)18)6-2-5-10(13)16-12(19)15-9-4-3-7-14-8-9/h3-4,7-8,10H,2,5-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyridin-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).