2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid

C15H20N2O4 — CID 114679454

IUPAC2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)N2CCC(O)C(C)C2)c1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-9-4-3-5-11(13(9)14(19)20)16-15(21)17-7-6-12(18)10(2)8-17/h3-5,10,12,18H,6-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyBIFURJVXGILMJT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.93
Rot. Bonds2

About 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid

2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid (PubChem CID 114679454) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid
PubChem CID114679454
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid
SMILESCc1cccc(NC(=O)N2CCC(O)C(C)C2)c1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-9-4-3-5-11(13(9)14(19)20)16-15(21)17-7-6-12(18)10(2)8-17/h3-5,10,12,18H,6-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyBIFURJVXGILMJT-UHFFFAOYSA-N
XLogP1.93
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbenzoic acid
CID 114679455
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylpiperidine-1-carboxamide
CID 107800956
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 114679422
3-chloro-4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679494
4-bromo-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679432
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-5-iodobenzoic acid
CID 114679601
2-acetamido-6-methylbenzoic acid
CID 2801400
(2-amino-3-methylphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677500
2-methyl-6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258105
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
2-(cyclopent-3-ene-1-carbonylamino)-6-methylbenzoic acid
CID 64766478

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid?
The IUPAC name of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid (CID 114679454) is 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid is Cc1cccc(NC(=O)N2CCC(O)C(C)C2)c1C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid?
The InChIKey is BIFURJVXGILMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-4-3-5-11(13(9)14(19)20)16-15(21)17-7-6-12(18)10(2)8-17/h3-5,10,12,18H,6-8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid?
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-6-methylbenzoic acid is sourced from PubChem (CID 114679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).