(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 62489291

IUPAC(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(N)(C(=O)N1CC(O)C[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(15,9-5-3-2-4-6-9)13(20)16-8-10(17)7-11(16)12(18)19/h2-6,10-11,17H,7-8,15H2,1H3,(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyFNWPTLMEWHLTRL-CVZZAPKMSA-N
MW278.31 g/mol
LogP-0.09
Rot. Bonds3

About (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 62489291) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID62489291
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(N)(C(=O)N1CC(O)C[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(15,9-5-3-2-4-6-9)13(20)16-8-10(17)7-11(16)12(18)19/h2-6,10-11,17H,7-8,15H2,1H3,(H,18,19)/t10?,11-,14?/m0/s1
InChIKeyFNWPTLMEWHLTRL-CVZZAPKMSA-N
XLogP-0.09
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-(2-methyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 43183753
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4R)-1-[2-(ethylamino)-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843531
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120607945

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 62489291) is (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(N)(C(=O)N1CC(O)C[C@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FNWPTLMEWHLTRL-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(15,9-5-3-2-4-6-9)13(20)16-8-10(17)7-11(16)12(18)19/h2-6,10-11,17H,7-8,15H2,1H3,(H,18,19)/t10?,11-,14?/m0/s1.
What are the key properties of (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-2-phenylpropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62489291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).