1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid

C14H18N2O3 — CID 63031396

IUPAC1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(N)(C(=O)N1CCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(15,11-5-3-2-4-6-11)13(19)16-8-7-10(9-16)12(17)18/h2-6,10H,7-9,15H2,1H3,(H,17,18)
InChIKeyOOFIBZRCCZSMCX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.79
Rot. Bonds3

About 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid

1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63031396) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID63031396
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(N)(C(=O)N1CCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C14H18N2O3/c1-14(15,11-5-3-2-4-6-11)13(19)16-8-7-10(9-16)12(17)18/h2-6,10H,7-9,15H2,1H3,(H,17,18)
InChIKeyOOFIBZRCCZSMCX-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-2-phenyl-1-(2-propan-2-ylthiomorpholin-4-yl)propan-1-one
CID 120594140
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
CID 66372006
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
(3S)-1-[2-(2-fluorophenyl)-2-methylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682167
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589033

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid (CID 63031396) is 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid is CC(N)(C(=O)N1CCC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OOFIBZRCCZSMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(15,11-5-3-2-4-6-11)13(19)16-8-7-10(9-16)12(17)18/h2-6,10H,7-9,15H2,1H3,(H,17,18).
What are the key properties of 1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid?
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.79, 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-phenylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).