3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid

C16H19N3O5 — CID 162661583

IUPAC3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid
SMILESCc1ccccc1NC(=O)N1C(=O)CC1CC(=O)NCCC(=O)O
InChIInChI=1S/C16H19N3O5/c1-10-4-2-3-5-12(10)18-16(24)19-11(9-14(19)21)8-13(20)17-7-6-15(22)23/h2-5,11H,6-9H2,1H3,(H,17,20)(H,18,24)(H,22,23)
InChIKeyLOXDBHIFADBELN-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.11
Rot. Bonds6

About 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid

3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid (PubChem CID 162661583) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid
PubChem CID162661583
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid
SMILESCc1ccccc1NC(=O)N1C(=O)CC1CC(=O)NCCC(=O)O
InChIInChI=1S/C16H19N3O5/c1-10-4-2-3-5-12(10)18-16(24)19-11(9-14(19)21)8-13(20)17-7-6-15(22)23/h2-5,11H,6-9H2,1H3,(H,17,20)(H,18,24)(H,22,23)
InChIKeyLOXDBHIFADBELN-UHFFFAOYSA-N
XLogP1.11
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid (CID 162661583) is 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid is Cc1ccccc1NC(=O)N1C(=O)CC1CC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid?
The InChIKey is LOXDBHIFADBELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-4-2-3-5-12(10)18-16(24)19-11(9-14(19)21)8-13(20)17-7-6-15(22)23/h2-5,11H,6-9H2,1H3,(H,17,20)(H,18,24)(H,22,23).
What are the key properties of 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid?
3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 162661583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).