4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid

C15H20N2O3 — CID 61186751

IUPAC4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-8-13(12-6-2-1-3-7-12)16-15(20)17-10-4-5-11-17/h1-3,6-7,13H,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyXTHOQNBZOATAQT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.40
Rot. Bonds5

About 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid

4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid (PubChem CID 61186751) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
PubChem CID61186751
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid
SMILESO=C(O)CCC(NC(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H20N2O3/c18-14(19)9-8-13(12-6-2-1-3-7-12)16-15(20)17-10-4-5-11-17/h1-3,6-7,13H,4-5,8-11H2,(H,16,20)(H,18,19)
InChIKeyXTHOQNBZOATAQT-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,6-dihydro-2H-pyridine-1-carbonylamino)-4-phenylbutanoic acid
CID 114411783
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
4-acetyl-N-[(1R)-1-phenylpent-4-enyl]-1,4-diazepane-1-carboxamide
CID 124611060
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(1-phenylbutyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 112832051
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
N-(2,2,2-tribromo-1-phenylethyl)piperidine-1-carboxamide
CID 3673629
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid?
The IUPAC name of 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid (CID 61186751) is 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid.
What is the SMILES notation for 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid?
The canonical SMILES for 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid is O=C(O)CCC(NC(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid?
The InChIKey is XTHOQNBZOATAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)9-8-13(12-6-2-1-3-7-12)16-15(20)17-10-4-5-11-17/h1-3,6-7,13H,4-5,8-11H2,(H,16,20)(H,18,19).
What are the key properties of 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid?
4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-(pyrrolidine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 61186751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).