4-benzamido-3,3-dimethylpentanoic acid

C14H19NO3 — CID 70984333

IUPAC4-benzamido-3,3-dimethylpentanoic acid
SMILESCC(NC(=O)c1ccccc1)C(C)(C)CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10(14(2,3)9-12(16)17)15-13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHPARRWLFBDGHOG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds5

About 4-benzamido-3,3-dimethylpentanoic acid

4-benzamido-3,3-dimethylpentanoic acid (PubChem CID 70984333) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-benzamido-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name4-benzamido-3,3-dimethylpentanoic acid
PubChem CID70984333
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-benzamido-3,3-dimethylpentanoic acid
SMILESCC(NC(=O)c1ccccc1)C(C)(C)CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10(14(2,3)9-12(16)17)15-13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHPARRWLFBDGHOG-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
CID 59051843
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
(5S)-5-benzamido-4-oxohexanoic acid
CID 129362331
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
CID 68891597
CID 68891597
N-(4-aminobutan-2-yl)benzamide
CID 62087210
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-3,3-dimethylpentanoic acid?
The IUPAC name of 4-benzamido-3,3-dimethylpentanoic acid (CID 70984333) is 4-benzamido-3,3-dimethylpentanoic acid.
What is the SMILES notation for 4-benzamido-3,3-dimethylpentanoic acid?
The canonical SMILES for 4-benzamido-3,3-dimethylpentanoic acid is CC(NC(=O)c1ccccc1)C(C)(C)CC(=O)O.
What is the InChIKey of 4-benzamido-3,3-dimethylpentanoic acid?
The InChIKey is HPARRWLFBDGHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(14(2,3)9-12(16)17)15-13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-benzamido-3,3-dimethylpentanoic acid?
4-benzamido-3,3-dimethylpentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-3,3-dimethylpentanoic acid is sourced from PubChem (CID 70984333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).