3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid

C15H17N3O5 — CID 155569251

IUPAC3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1NC(=O)N1C(=O)C[C@@H]1C(=O)NCCC(=O)O
InChIInChI=1S/C15H17N3O5/c1-9-4-2-3-5-10(9)17-15(23)18-11(8-12(18)19)14(22)16-7-6-13(20)21/h2-5,11H,6-8H2,1H3,(H,16,22)(H,17,23)(H,20,21)/t11-/m1/s1
InChIKeyIVVOOUBTAXUXMJ-LLVKDONJSA-N
MW319.32 g/mol
LogP0.72
Rot. Bonds5

About 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid

3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid (PubChem CID 155569251) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid
PubChem CID155569251
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid
SMILESCc1ccccc1NC(=O)N1C(=O)C[C@@H]1C(=O)NCCC(=O)O
InChIInChI=1S/C15H17N3O5/c1-9-4-2-3-5-10(9)17-15(23)18-11(8-12(18)19)14(22)16-7-6-13(20)21/h2-5,11H,6-8H2,1H3,(H,16,22)(H,17,23)(H,20,21)/t11-/m1/s1
InChIKeyIVVOOUBTAXUXMJ-LLVKDONJSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid (CID 155569251) is 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid is Cc1ccccc1NC(=O)N1C(=O)C[C@@H]1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid?
The InChIKey is IVVOOUBTAXUXMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O5/c1-9-4-2-3-5-10(9)17-15(23)18-11(8-12(18)19)14(22)16-7-6-13(20)21/h2-5,11H,6-8H2,1H3,(H,16,22)(H,17,23)(H,20,21)/t11-/m1/s1.
What are the key properties of 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid?
3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic 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 3-[[(2R)-1-[(2-methylphenyl)carbamoyl]-4-oxoazetidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155569251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).