2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid

C14H18N2O4 — CID 62942680

IUPAC2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)N1CCC(O)C1)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(12(18)19,10-5-3-2-4-6-10)15-13(20)16-8-7-11(17)9-16/h2-6,11,17H,7-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyYVWYTVLECNBXQL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds3

About 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid

2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 62942680) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID62942680
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)N1CCC(O)C1)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-14(12(18)19,10-5-3-2-4-6-10)15-13(20)16-8-7-11(17)9-16/h2-6,11,17H,7-9H2,1H3,(H,15,20)(H,18,19)
InChIKeyYVWYTVLECNBXQL-UHFFFAOYSA-N
XLogP0.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic 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

2-[(4-methylpiperazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62487324
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
1-N-(2-phenylpropan-2-yl)piperidine-1,4-dicarboxamide
CID 110676358
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
2-[(2-cyclopentylacetyl)amino]-2-phenylpropanoic acid
CID 62487480
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 75432047

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid (CID 62942680) is 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid is CC(NC(=O)N1CCC(O)C1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is YVWYTVLECNBXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(12(18)19,10-5-3-2-4-6-10)15-13(20)16-8-7-11(17)9-16/h2-6,11,17H,7-9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid?
2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62942680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).