(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 106312428

IUPAC(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-8-2-4-9(5-3-8)12(15)13(18)16-7-10(17)6-11(16)14(19)20/h2-5,10-12,17H,6-7,15H2,1H3,(H,19,20)/t10-,11-,12?/m0/s1
InChIKeyFJLKDQUJVVLHKF-NDQFZYFBSA-N
MW278.31 g/mol
LogP0.04
Rot. Bonds3

About (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 106312428) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID106312428
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(N)C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)cc1
InChIInChI=1S/C14H18N2O4/c1-8-2-4-9(5-3-8)12(15)13(18)16-7-10(17)6-11(16)14(19)20/h2-5,10-12,17H,6-7,15H2,1H3,(H,19,20)/t10-,11-,12?/m0/s1
InChIKeyFJLKDQUJVVLHKF-NDQFZYFBSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-[1-(4-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63844244
(2R)-1-[2-amino-2-(4-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 106312491
4-[2-amino-2-(4-methylphenyl)acetyl]morpholine-3-carboxylic acid
CID 106312457
(2S,4R)-4-hydroxy-1-[2-methyl-3-[(4-methylphenyl)disulfanyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 88796179
1-[2-amino-2-(4-methylphenyl)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 106312511
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460
1-[(2S)-2-amino-3-phenylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158237
4-hydroxy-1-[(E)-3-(4-methylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43171339
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 168776357
(2S,4R)-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104984416

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 106312428) is (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is Cc1ccc(C(N)C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)cc1.
What is the InChIKey of (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FJLKDQUJVVLHKF-NDQFZYFBSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-2-4-9(5-3-8)12(15)13(18)16-7-10(17)6-11(16)14(19)20/h2-5,10-12,17H,6-7,15H2,1H3,(H,19,20)/t10-,11-,12?/m0/s1.
What are the key properties of (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106312428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).