2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

C19H28N2O3 — CID 11515481

IUPAC2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2ncccc2CC)CCCC1)C(=O)O
InChIInChI=1S/C19H28N2O3/c1-3-8-15(17(22)23)13-19(10-5-6-11-19)18(24)21-16-14(4-2)9-7-12-20-16/h7,9,12,15H,3-6,8,10-11,13H2,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyACCFCBCLGRJMCS-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.03
Rot. Bonds8

About 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11515481) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11515481
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)Nc2ncccc2CC)CCCC1)C(=O)O
InChIInChI=1S/C19H28N2O3/c1-3-8-15(17(22)23)13-19(10-5-6-11-19)18(24)21-16-14(4-2)9-7-12-20-16/h7,9,12,15H,3-6,8,10-11,13H2,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyACCFCBCLGRJMCS-UHFFFAOYSA-N
XLogP4.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11515481) is 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)Nc2ncccc2CC)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is ACCFCBCLGRJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-8-15(17(22)23)13-19(10-5-6-11-19)18(24)21-16-14(4-2)9-7-12-20-16/h7,9,12,15H,3-6,8,10-11,13H2,1-2H3,(H,22,23)(H,20,21,24).
What are the key properties of 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 332.44 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-ethyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11515481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).