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

C21H32N2O4 — CID 10110086

IUPAC2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
SMILESCCCCc1ccnc(NC(=O)C2(CC(CCOC)C(=O)O)CCCC2)c1
InChIInChI=1S/C21H32N2O4/c1-3-4-7-16-8-12-22-18(14-16)23-20(26)21(10-5-6-11-21)15-17(19(24)25)9-13-27-2/h8,12,14,17H,3-7,9-11,13,15H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyLZQQBLZDXZIRRO-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.05
Rot. Bonds11

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

2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid (PubChem CID 10110086) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
PubChem CID10110086
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid
SMILESCCCCc1ccnc(NC(=O)C2(CC(CCOC)C(=O)O)CCCC2)c1
InChIInChI=1S/C21H32N2O4/c1-3-4-7-16-8-12-22-18(14-16)23-20(26)21(10-5-6-11-21)15-17(19(24)25)9-13-27-2/h8,12,14,17H,3-7,9-11,13,15H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyLZQQBLZDXZIRRO-UHFFFAOYSA-N
XLogP4.05
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-{1-[2-(3-Isoquinolinylamino)-2-oxoethyl]cyclohexyl}acetic acid
CID 2738327
4-(3-Methylpyridin-2-ylcarbamoyl)butyric acid
CID 572788
2-((1-((4-Butylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11646207
2-((1-((4-Benzylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11661185
2-((1-((3-Ethylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11515481
2-((1-(Pyridin-2-ylcarbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11652422
(2S)-3-(6-amino-3-pyridinyl)-2-[[(3R,6S)-4-oxo-6-propan-2-yl-8-oxa-5-azabicyclo[11.2.1]hexadeca-1(15),13(16)-dien-3-yl]carbamoylamino]propanoic acid
CID 133081484
2-((1-((6-Ethylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11631338
2-((1-((4-Methylpyridin-2-yl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11652641
5-[(5-Methylpyridin-2-yl)amino]-5-oxopentanoic acid
CID 1291657
5-Oxo-3-phenyl-5-(pyridin-2-ylamino)pentanoic acid
CID 3154329
5-[(5-Methyl-2-pyridinyl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812795

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid?
The IUPAC name of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid (CID 10110086) is 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid is CCCCc1ccnc(NC(=O)C2(CC(CCOC)C(=O)O)CCCC2)c1.
What is the InChIKey of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid?
The InChIKey is LZQQBLZDXZIRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-3-4-7-16-8-12-22-18(14-16)23-20(26)21(10-5-6-11-21)15-17(19(24)25)9-13-27-2/h8,12,14,17H,3-7,9-11,13,15H2,1-2H3,(H,24,25)(H,22,23,26).
What are the key properties of 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid?
2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid has a molecular weight of 376.50 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-butyl-2-pyridinyl)carbamoyl]cyclopentyl]methyl]-4-methoxybutanoic acid is sourced from PubChem (CID 10110086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).