4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid

C14H19NO4 — CID 62041548

IUPAC4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(CO)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,8-7-12(17)18)15-13(19)11-5-3-10(9-16)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHYMRUWBSTQTAKO-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.55
Rot. Bonds6

About 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid

4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 62041548) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
PubChem CID62041548
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(CO)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,8-7-12(17)18)15-13(19)11-5-3-10(9-16)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHYMRUWBSTQTAKO-UHFFFAOYSA-N
XLogP1.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(hydroxymethyl)benzoyl]amino]-3-methylbutanoic acid
CID 64670755
4-methyl-4-[[4-(methylsulfonylmethyl)benzoyl]amino]pentanoic acid
CID 119203601
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412
4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-methyl-4-[(4-propan-2-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119203959
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[[4-(ethylsulfamoyl)benzoyl]amino]-4-methylpentanoic acid
CID 119204037
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
4-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoic acid
CID 91636058

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid (CID 62041548) is 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is HYMRUWBSTQTAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,8-7-12(17)18)15-13(19)11-5-3-10(9-16)4-6-11/h3-6,16H,7-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid?
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 62041548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).