4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid

C22H27N3O3 — CID 122028137

IUPAC4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1CC(c2cccnc2)N(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-16-12-20(18-8-5-11-23-14-18)25(15-16)22(28)24-19(9-10-21(26)27)13-17-6-3-2-4-7-17/h2-8,11,14,16,19-20H,9-10,12-13,15H2,1H3,(H,24,28)(H,26,27)
InChIKeyHICXTHPDOGQTID-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.65
Rot. Bonds7

About 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid

4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 122028137) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID122028137
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
SMILESCC1CC(c2cccnc2)N(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c1-16-12-20(18-8-5-11-23-14-18)25(15-16)22(28)24-19(9-10-21(26)27)13-17-6-3-2-4-7-17/h2-8,11,14,16,19-20H,9-10,12-13,15H2,1H3,(H,24,28)(H,26,27)
InChIKeyHICXTHPDOGQTID-UHFFFAOYSA-N
XLogP3.65
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 146081354
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[[4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028122
4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027113
4-[[methyl-[(2R,3S)-2-pyridin-3-yloxolan-3-yl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027852
4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027848
2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025640
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[2-methyl-4-(trifluoromethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027495
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
4-[(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028386
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid (CID 122028137) is 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid is CC1CC(c2cccnc2)N(C(=O)NC(CCC(=O)O)Cc2ccccc2)C1.
What is the InChIKey of 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is HICXTHPDOGQTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-12-20(18-8-5-11-23-14-18)25(15-16)22(28)24-19(9-10-21(26)27)13-17-6-3-2-4-7-17/h2-8,11,14,16,19-20H,9-10,12-13,15H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid?
4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 381.48 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).