3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid

C16H23NO4 — CID 43092234

IUPAC3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-5-11(4)14(16(19)20)17-15(18)12-6-8-13(9-7-12)21-10(2)3/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyAQJSQFHMNHGCBX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.70
Rot. Bonds7

About 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid

3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid (PubChem CID 43092234) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
PubChem CID43092234
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(OC(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-5-11(4)14(16(19)20)17-15(18)12-6-8-13(9-7-12)21-10(2)3/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyAQJSQFHMNHGCBX-UHFFFAOYSA-N
XLogP2.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[(4-acetylbenzoyl)amino]-3-methylpentanoic acid
CID 119193795
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
(2R,3S)-3-methyl-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 51541225
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
(2S,3S)-3-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120517451
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
(2S,3S)-2-[(3,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107728036
(2S,3S)-2-[[4-(acetamidomethyl)benzoyl]amino]-3-methylpentanoic acid
CID 92943759
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
2-[[4-[(butanoylamino)methyl]benzoyl]amino]-3-methylpentanoic acid
CID 82033630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid (CID 43092234) is 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1ccc(OC(C)C)cc1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid?
The InChIKey is AQJSQFHMNHGCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-11(4)14(16(19)20)17-15(18)12-6-8-13(9-7-12)21-10(2)3/h6-11,14H,5H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid?
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid is sourced from PubChem (CID 43092234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).