4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid

C16H20N2O5 — CID 119203630

IUPAC4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C16H20N2O5/c1-16(2,8-7-15(21)22)17-13(19)9-18-11-5-3-4-6-12(11)23-10-14(18)20/h3-6H,7-10H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyFZIWOFBVTKVJOP-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.17
Rot. Bonds6

About 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid

4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid (PubChem CID 119203630) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid
PubChem CID119203630
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CN1C(=O)COc2ccccc21
InChIInChI=1S/C16H20N2O5/c1-16(2,8-7-15(21)22)17-13(19)9-18-11-5-3-4-6-12(11)23-10-14(18)20/h3-6H,7-10H2,1-2H3,(H,17,19)(H,21,22)
InChIKeyFZIWOFBVTKVJOP-UHFFFAOYSA-N
XLogP1.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

4-methyl-4-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid
CID 119204192
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
3-methyl-2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]butanoic acid
CID 119136995
2-[methyl-[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]acetic acid
CID 119137153
2,2-dimethyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 119249168
2-(3-oxo-1,4-benzoxazin-4-yl)-N-phenylmethoxyacetamide
CID 51072486
2-methyl-2-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 92942487
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
4-[2-[(tert-butylamino)methyl]prop-2-enyl]-1,4-benzoxazin-3-one
CID 103071655
1-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid (CID 119203630) is 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CN1C(=O)COc2ccccc21.
What is the InChIKey of 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid?
The InChIKey is FZIWOFBVTKVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-16(2,8-7-15(21)22)17-13(19)9-18-11-5-3-4-6-12(11)23-10-14(18)20/h3-6H,7-10H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid?
4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid has a molecular weight of 320.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119203630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).