(2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid

C20H20N2O4 — CID 3009559

IUPAC(2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid
SMILESC[C@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14(16-10-6-3-7-11-16)21-19(26)22-17(23)13-20(22,18(24)25)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,26)(H,24,25)/t14-,20-/m0/s1
InChIKeyDWRFNATXFQHHDE-XOBRGWDASA-N
MW352.39 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid

(2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid (PubChem CID 3009559) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid
PubChem CID3009559
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid
SMILESC[C@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14(16-10-6-3-7-11-16)21-19(26)22-17(23)13-20(22,18(24)25)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,26)(H,24,25)/t14-,20-/m0/s1
InChIKeyDWRFNATXFQHHDE-XOBRGWDASA-N
XLogP2.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-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

(R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid
CID 44311229
(2S)-2-[[(1S)-5-[acetyl(benzyl)amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
CID 118706014
(S)-2-[3-(4-Methyl-benzyl)-ureido]-3-phenyl-propionic acid
CID 941561
2-Azetidinecarboxylic acid, 4-oxo-1-((4-(1-oxo-6-phenylhexyl)-1-piperazinyl)carbonyl)-3-(2-(3-piperidinyl)ethyl)-, (2S,3R)-
CID 10391699
1-Benzyl-3-[2-(1-carboxy-3-phenyl-propylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13456344
1-Benzyl-3-[2-(1-carboxy-nonylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13456375
1-Benzyl-3-[2-(1-carboxy-2-phenyl-ethylamino)-propionyl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13456389
1-Benzyl-3-[2-(1-carboxy-nonylamino)-butyryl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13456394
1-Benzyl-3-[2-(1-carboxy-3-phenyl-propylamino)-butyryl]-2-oxo-imidazolidine-4-carboxylic acid
CID 13456404
(R)-4-Oxo-3-piperidin-4-ylmethyl-1-[4-(3-m-tolyl-propionyl)-piperazine-1-carbonyl]-azetidine-2-carboxylic acid
CID 44311152
(R)-4-Oxo-1-[4-(5-phenyl-pentanoyl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid
CID 44311392
(R)-4-Oxo-1-[4-(8-phenyl-octanoyl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid
CID 44311404

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
The IUPAC name of (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid (CID 3009559) is (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid is C[C@H](NC(=O)N1C(=O)C[C@@]1(Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
The InChIKey is DWRFNATXFQHHDE-XOBRGWDASA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14(16-10-6-3-7-11-16)21-19(26)22-17(23)13-20(22,18(24)25)12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,26)(H,24,25)/t14-,20-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid?
(2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-oxo-1-[[(1S)-1-phenylethyl]carbamoyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 3009559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).