2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

C18H26N2O3 — CID 11652641

IUPAC2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2cc(C)ccn2)CCCC1)C(=O)O
InChIInChI=1S/C18H26N2O3/c1-3-6-14(16(21)22)12-18(8-4-5-9-18)17(23)20-15-11-13(2)7-10-19-15/h7,10-11,14H,3-6,8-9,12H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyRMFYECKSPNKOHX-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.78
Rot. Bonds7

About 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11652641) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11652641
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2cc(C)ccn2)CCCC1)C(=O)O
InChIInChI=1S/C18H26N2O3/c1-3-6-14(16(21)22)12-18(8-4-5-9-18)17(23)20-15-11-13(2)7-10-19-15/h7,10-11,14H,3-6,8-9,12H2,1-2H3,(H,21,22)(H,19,20,23)
InChIKeyRMFYECKSPNKOHX-UHFFFAOYSA-N
XLogP3.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11652641) is 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)Nc2cc(C)ccn2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is RMFYECKSPNKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-6-14(16(21)22)12-18(8-4-5-9-18)17(23)20-15-11-13(2)7-10-19-15/h7,10-11,14H,3-6,8-9,12H2,1-2H3,(H,21,22)(H,19,20,23).
What are the key properties of 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-methyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11652641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).