2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid

C14H19NO4 — CID 112602120

IUPAC2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
SMILESCc1c(NC(=O)COC(C)(C)C)cccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-10(13(17)18)6-5-7-11(9)15-12(16)8-19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyDXATXVYOFBNHAP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.45
Rot. Bonds4

About 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid

2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid (PubChem CID 112602120) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
PubChem CID112602120
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid
SMILESCc1c(NC(=O)COC(C)(C)C)cccc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-9-10(13(17)18)6-5-7-11(9)15-12(16)8-19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyDXATXVYOFBNHAP-UHFFFAOYSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
3-(3,3-dimethylbutanoylamino)-2-methylbenzoic acid
CID 55025823
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679
2-methyl-3-(3,4,4-trimethylpentanoylamino)benzoic acid
CID 63834812
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylbenzoic acid
CID 40910613
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
3-(2,2-dimethylbutanoylamino)-2-methylbenzoic acid
CID 62947405
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
3-[[2-(4-chlorophenyl)acetyl]amino]-2-methylbenzoic acid
CID 974933
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
The IUPAC name of 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid (CID 112602120) is 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid is Cc1c(NC(=O)COC(C)(C)C)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
The InChIKey is DXATXVYOFBNHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-10(13(17)18)6-5-7-11(9)15-12(16)8-19-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid?
2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoic acid is sourced from PubChem (CID 112602120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).