2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid

C16H22N2O3 — CID 115428722

IUPAC2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)N1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-16(2,14(19)20)11-17-15(21)18-9-8-13(10-18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyGFBJBNQGVCCPCN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.30
Rot. Bonds4

About 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 115428722) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID115428722
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)N1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-16(2,14(19)20)11-17-15(21)18-9-8-13(10-18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyGFBJBNQGVCCPCN-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-phenylpyrrolidine-1-carboxamide
CID 45555708
N-[3-(diethylamino)-3-oxopropyl]-3-phenylpyrrolidine-1-carboxamide
CID 51099719
N-[2-(diethylamino)-2-oxoethyl]-3-phenylpyrrolidine-1-carboxamide
CID 51099738
2,2-dimethyl-N-[3-[3-(2-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]propanamide
CID 53590354
N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide
CID 56822120
3-(1-Acetylpiperidin-4-YL)-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 91921320
(3S,4R)-4-(2-phenylethylcarbamoyl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 110203762
N-[(4-benzylpiperidin-1-yl)carbonyl]-beta-alanine
CID 17591878
(3S)-1-[2-(3-phenylphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 164640013
3-[2-(2-Fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 28510618
3-[2-(4-Fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 28510623
3-[(4-Fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007270

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 115428722) is 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid is CC(C)(CNC(=O)N1CCC(c2ccccc2)C1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is GFBJBNQGVCCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,14(19)20)11-17-15(21)18-9-8-13(10-18)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 115428722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).