2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid

C15H20N2O4 — CID 60940712

IUPAC2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15(20)21/h4-7,9,12H,8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYTMBCRFYTABZOZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.28
Rot. Bonds6

About 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid

2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid (PubChem CID 60940712) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
PubChem CID60940712
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15(20)21/h4-7,9,12H,8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyYTMBCRFYTABZOZ-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
(3S)-3-[[(2S)-4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]butanoic acid
CID 97072625
4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 115745769
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid (CID 60940712) is 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid is CNC(=O)C(CC(C)C)NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid?
The InChIKey is YTMBCRFYTABZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(2)8-12(14(19)16-3)17-13(18)10-6-4-5-7-11(10)15(20)21/h4-7,9,12H,8H2,1-3H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid?
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 60940712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).