2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid

C15H20N2O4 — CID 43358371

IUPAC2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-9-6-5-7-10(13(19)20)12(9)17-11(18)8-16-14(21)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRAIRHAQSLXIMGW-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.79
Rot. Bonds4

About 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid

2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid (PubChem CID 43358371) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
PubChem CID43358371
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C15H20N2O4/c1-9-6-5-7-10(13(19)20)12(9)17-11(18)8-16-14(21)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRAIRHAQSLXIMGW-UHFFFAOYSA-N
XLogP1.79
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 107046941
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 104832910
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095
3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606
2-(2,2-dimethylbutylcarbamoylamino)-3-methylbenzoic acid
CID 103463175
3-methyl-2-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid
CID 43171851
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
2-(benzylcarbamoylamino)-3-methylbenzoic acid
CID 61182875
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylbenzoic acid
CID 61198378

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid?
The IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid (CID 43358371) is 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid.
What is the SMILES notation for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid?
The canonical SMILES for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid?
The InChIKey is RAIRHAQSLXIMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-6-5-7-10(13(19)20)12(9)17-11(18)8-16-14(21)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid?
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-3-methylbenzoic acid is sourced from PubChem (CID 43358371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).