(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid

C15H18N2O4 — CID 124682814

IUPAC(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
SMILESCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-10(18)17-9-5-8-12(17)14(19)16-13(15(20)21)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3,(H,16,19)(H,20,21)/t12-,13-/m0/s1
InChIKeyVFRURYMCBARRQA-STQMWFEESA-N
MW290.32 g/mol
LogP0.94
Rot. Bonds4

About (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid

(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid (PubChem CID 124682814) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
PubChem CID124682814
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
SMILESCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-10(18)17-9-5-8-12(17)14(19)16-13(15(20)21)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3,(H,16,19)(H,20,21)/t12-,13-/m0/s1
InChIKeyVFRURYMCBARRQA-STQMWFEESA-N
XLogP0.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic 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

(2S)-2-[[(2S)-1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
CID 22814476
1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 78798467
methyl N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(propan-2-ylcarbamoyl)pyrrolidin-1-yl]ethyl]carbamate
CID 59616659
1-(2-aminopropanoyl)-N-benzhydrylpyrrolidine-2-carboxamide
CID 166861237
(2S)-1-acetyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 71372548
N-benzhydryl-1-[2-[2-(chloroamino)propanoylamino]-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 89078519
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
tert-butyl 2-[[(1S)-2-oxo-1-phenyl-2-(tritylamino)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 132600130
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
phenyl (2R)-2-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126004394
(2S)-1-[4-(dimethoxymethyl)benzoyl]-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
CID 100951099

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid (CID 124682814) is (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid is CC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is VFRURYMCBARRQA-STQMWFEESA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)17-9-5-8-12(17)14(19)16-13(15(20)21)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3,(H,16,19)(H,20,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid?
(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 124682814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).