4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid

C19H22N2O3 — CID 122021478

IUPAC4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c22-18(23)11-4-12-20-19(24)21-13-5-10-17(21)16-9-3-7-14-6-1-2-8-15(14)16/h1-3,6-9,17H,4-5,10-13H2,(H,20,24)(H,22,23)
InChIKeyGVGBQFIUWDGKKP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.55
Rot. Bonds5

About 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid

4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 122021478) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID122021478
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C19H22N2O3/c22-18(23)11-4-12-20-19(24)21-13-5-10-17(21)16-9-3-7-14-6-1-2-8-15(14)16/h1-3,6-9,17H,4-5,10-13H2,(H,20,24)(H,22,23)
InChIKeyGVGBQFIUWDGKKP-UHFFFAOYSA-N
XLogP3.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021512
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
2-naphthalen-1-yl-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47849269
4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021330
4-[[2-(3-methylphenyl)azepane-1-carbonyl]amino]butanoic acid
CID 122023212
(2S)-N'-(2-methylbenzoyl)-2-naphthalen-1-ylpyrrolidine-1-carbohydrazide
CID 97196920
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122023258
1-methyl-4-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 56819311
N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide
CID 47706706
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427

Frequently Asked Questions

What is the IUPAC name of 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid (CID 122021478) is 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)N1CCCC1c1cccc2ccccc12.
What is the InChIKey of 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is GVGBQFIUWDGKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(23)11-4-12-20-19(24)21-13-5-10-17(21)16-9-3-7-14-6-1-2-8-15(14)16/h1-3,6-9,17H,4-5,10-13H2,(H,20,24)(H,22,23).
What are the key properties of 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid?
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 326.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122021478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).