3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid

C15H20N2O4 — CID 74241550

IUPAC3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid
SMILESCNC(=O)CCC(C)(C)NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2,8-7-12(18)16-3)17-13(19)10-5-4-6-11(9-10)14(20)21/h4-6,9H,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyBJDAKGFUQNQWFS-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.42
Rot. Bonds6

About 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid

3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid (PubChem CID 74241550) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid
PubChem CID74241550
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid
SMILESCNC(=O)CCC(C)(C)NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-15(2,8-7-12(18)16-3)17-13(19)10-5-4-6-11(9-10)14(20)21/h4-6,9H,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyBJDAKGFUQNQWFS-UHFFFAOYSA-N
XLogP1.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[3-[[benzyl(methyl)amino]methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119357272
4-methyl-4-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119204515
3-[4-(methylamino)-4-oxobutoxy]benzoic acid
CID 63891368
3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
CID 119763292
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
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4-methyl-4-[[3-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentanoic acid
CID 119357520

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid?
The IUPAC name of 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid (CID 74241550) is 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid?
The canonical SMILES for 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid is CNC(=O)CCC(C)(C)NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid?
The InChIKey is BJDAKGFUQNQWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,8-7-12(18)16-3)17-13(19)10-5-4-6-11(9-10)14(20)21/h4-6,9H,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid?
3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-5-(methylamino)-5-oxopentan-2-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 74241550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).