1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid

C14H18N2O3 — CID 79369260

IUPAC1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-9-11(14(18)19)7-8-16(9)13(17)12(15)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,15H2,1H3,(H,18,19)
InChIKeyXOOKMIMCRQMCDR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.01
Rot. Bonds3

About 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid

1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79369260) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79369260
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)C(N)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-9-11(14(18)19)7-8-16(9)13(17)12(15)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,15H2,1H3,(H,18,19)
InChIKeyXOOKMIMCRQMCDR-UHFFFAOYSA-N
XLogP1.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 106312511
1-(3-amino-2-methyl-3-phenylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 80546825
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
1-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115290930
1-(4-amino-4-phenylbutanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371894
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
CID 129436950
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 119330766
2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 60945116
(2S)-2-amino-1-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897452
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79369260) is 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)C(N)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is XOOKMIMCRQMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-11(14(18)19)7-8-16(9)13(17)12(15)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8,15H2,1H3,(H,18,19).
What are the key properties of 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).