2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid

C15H17N3O5 — CID 154734318

IUPAC2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid
SMILESCc1ccccc1NC(=O)N1C(=O)CC1CC(=O)NCC(=O)O
InChIInChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22)
InChIKeyHZLFZIQTWBACFC-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.72
Rot. Bonds5

About 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid

2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid (PubChem CID 154734318) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid
PubChem CID154734318
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid
SMILESCc1ccccc1NC(=O)N1C(=O)CC1CC(=O)NCC(=O)O
InChIInChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22)
InChIKeyHZLFZIQTWBACFC-UHFFFAOYSA-N
XLogP0.72
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid with MolForge

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Related Compounds

n-(((2-Methylphenyl)amino)carbonyl)glycine
CID 303776
(2S)-1-[[4-(aminomethyl)phenyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 145948475
(S)-4-oxo-1-(o-tolylcarbamoyl)azetidine-2-carboxylic acid
CID 154734316
Integrin modulator 1
CID 154734317
N-[(2-ethylphenyl)carbamoyl]-L-alanine
CID 5389730
(S)-1-(o-tolylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510125
2-[1-[[4-(Aminomethyl)phenyl]carbamoyl]-4-oxoazetidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 145948473
2-[[2-[1-[[4-(Aminomethyl)phenyl]carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid;2,2,2-trifluoroacetic acid
CID 145948474
N-(2-methylphenyl)-2-oxoazetidine-1-carboxamide
CID 155519972
3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid
CID 155569251
3-[[2-[1-[(2-Methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid
CID 162661583
3-[[2-[1-[[4-(Aminomethyl)phenyl]carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid;2,2,2-trifluoroacetic acid
CID 162676257

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid (CID 154734318) is 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid is Cc1ccccc1NC(=O)N1C(=O)CC1CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid?
The InChIKey is HZLFZIQTWBACFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9-4-2-3-5-11(9)17-15(23)18-10(7-13(18)20)6-12(19)16-8-14(21)22/h2-5,10H,6-8H2,1H3,(H,16,19)(H,17,23)(H,21,22).
What are the key properties of 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid?
2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid has a molecular weight of 319.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 154734318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).