2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid

C15H22N2O2 — CID 62131421

IUPAC2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
SMILESCC(N)(CCN1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-15(16,14(18)19)8-10-17-9-7-13(11-17)12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,18,19)
InChIKeyKXNPDJJLIDMVMA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.67
Rot. Bonds5

About 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid

2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid (PubChem CID 62131421) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
PubChem CID62131421
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
SMILESCC(N)(CCN1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-15(16,14(18)19)8-10-17-9-7-13(11-17)12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,18,19)
InChIKeyKXNPDJJLIDMVMA-UHFFFAOYSA-N
XLogP1.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butan-1-amine
CID 65247484
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanethioamide
CID 65248920
2,2-dimethyl-4-(3-phenylpyrrolidin-1-yl)butanimidamide
CID 65252705
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
CID 114997894
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
CID 62272328
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid (CID 62131421) is 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid is CC(N)(CCN1CCC(c2ccccc2)C1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid?
The InChIKey is KXNPDJJLIDMVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(16,14(18)19)8-10-17-9-7-13(11-17)12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid?
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid has a molecular weight of 262.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 62131421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).