2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid

C14H19NO3 — CID 55133359

IUPAC2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)CC(C)C)c1
InChIInChI=1S/C14H19NO3/c1-10(2)8-15(9-13(16)17)14(18)12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyFZIMRXKXLMAWDW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds5

About 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid

2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 55133359) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
PubChem CID55133359
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1cccc(C(=O)N(CC(=O)O)CC(C)C)c1
InChIInChI=1S/C14H19NO3/c1-10(2)8-15(9-13(16)17)14(18)12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyFZIMRXKXLMAWDW-UHFFFAOYSA-N
XLogP2.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[carboxymethyl-(3-methylbenzoyl)amino]propanoic acid
CID 82324641
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
2-[[3-(benzenesulfonylmethyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193442
2-[(2,6-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 107687977
2-(N-(3-methylbenzoyl)anilino)acetic acid
CID 28765017
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193315
2-[2-methylpropyl-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119193255
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid (CID 55133359) is 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid is Cc1cccc(C(=O)N(CC(=O)O)CC(C)C)c1.
What is the InChIKey of 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is FZIMRXKXLMAWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)8-15(9-13(16)17)14(18)12-6-4-5-11(3)7-12/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 55133359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).