4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid

C16H21N3O4 — CID 122092164

IUPAC4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(N2CCC2=O)c1
InChIInChI=1S/C16H21N3O4/c1-16(2,8-6-14(21)22)18-15(23)17-11-4-3-5-12(10-11)19-9-7-13(19)20/h3-5,10H,6-9H2,1-2H3,(H,21,22)(H2,17,18,23)
InChIKeyYVCPLANNGWPGGM-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.19
Rot. Bonds6

About 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid

4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid (PubChem CID 122092164) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
PubChem CID122092164
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(N2CCC2=O)c1
InChIInChI=1S/C16H21N3O4/c1-16(2,8-6-14(21)22)18-15(23)17-11-4-3-5-12(10-11)19-9-7-13(19)20/h3-5,10H,6-9H2,1-2H3,(H,21,22)(H2,17,18,23)
InChIKeyYVCPLANNGWPGGM-UHFFFAOYSA-N
XLogP2.19
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
4-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122075180
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
4-[[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122076240
4-methyl-4-[[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]carbamoylamino]pentanoic acid
CID 122091628
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
1-[3-(2-oxoazetidin-1-yl)phenyl]-3-[(1R)-1-phenylethyl]urea
CID 122151249
4-methyl-4-[(1-methyl-2-oxo-3H-indol-5-yl)carbamoylamino]pentanoic acid
CID 122092019
4-[[3-(butan-2-ylsulfamoyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122087045
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
CID 122085969

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid (CID 122092164) is 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1cccc(N2CCC2=O)c1.
What is the InChIKey of 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is YVCPLANNGWPGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2,8-6-14(21)22)18-15(23)17-11-4-3-5-12(10-11)19-9-7-13(19)20/h3-5,10H,6-9H2,1-2H3,(H,21,22)(H2,17,18,23).
What are the key properties of 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid?
4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 319.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122092164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).