2-benzamido-4-methyl-5-oxohexanoic acid

C14H17NO4 — CID 139610506

IUPAC2-benzamido-4-methyl-5-oxohexanoic acid
SMILESCC(=O)C(C)CC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H17NO4/c1-9(10(2)16)8-12(14(18)19)15-13(17)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFYMZUERUNYHJNT-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.48
Rot. Bonds6

About 2-benzamido-4-methyl-5-oxohexanoic acid

2-benzamido-4-methyl-5-oxohexanoic acid (PubChem CID 139610506) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-benzamido-4-methyl-5-oxohexanoic acid.

Molecular Properties

Compound Name2-benzamido-4-methyl-5-oxohexanoic acid
PubChem CID139610506
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-benzamido-4-methyl-5-oxohexanoic acid
SMILESCC(=O)C(C)CC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H17NO4/c1-9(10(2)16)8-12(14(18)19)15-13(17)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFYMZUERUNYHJNT-UHFFFAOYSA-N
XLogP1.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
(2S,4S)-2-benzamido-4-benzyl-5-methylhexanoic acid
CID 58019158
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717
(2R)-3-acetylsulfanyl-2-benzamidopropanoic acid
CID 22837359
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
(4S)-2-benzamido-4-(dipropylamino)pentanedioic acid
CID 54225127

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-methyl-5-oxohexanoic acid?
The IUPAC name of 2-benzamido-4-methyl-5-oxohexanoic acid (CID 139610506) is 2-benzamido-4-methyl-5-oxohexanoic acid.
What is the SMILES notation for 2-benzamido-4-methyl-5-oxohexanoic acid?
The canonical SMILES for 2-benzamido-4-methyl-5-oxohexanoic acid is CC(=O)C(C)CC(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-benzamido-4-methyl-5-oxohexanoic acid?
The InChIKey is FYMZUERUNYHJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(10(2)16)8-12(14(18)19)15-13(17)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-benzamido-4-methyl-5-oxohexanoic acid?
2-benzamido-4-methyl-5-oxohexanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-methyl-5-oxohexanoic acid is sourced from PubChem (CID 139610506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).