methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate

C14H18N2O4 — CID 60637105

IUPACmethyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C14H18N2O4/c1-10-4-3-5-11(8-10)14(19)16-9-12(17)15-7-6-13(18)20-2/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyILTSWTRPJJJTPG-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.40
Rot. Bonds6

About methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate

methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate (PubChem CID 60637105) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
PubChem CID60637105
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C14H18N2O4/c1-10-4-3-5-11(8-10)14(19)16-9-12(17)15-7-6-13(18)20-2/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyILTSWTRPJJJTPG-UHFFFAOYSA-N
XLogP0.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate 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

[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
2-methyl-4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 80537249
methyl 6-[[2-[(3,5-dimethylbenzoyl)amino]acetyl]amino]hexanoate
CID 31840736
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
methyl 4-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 9364094
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate (CID 60637105) is methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate is COC(=O)CCNC(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate?
The InChIKey is ILTSWTRPJJJTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-4-3-5-11(8-10)14(19)16-9-12(17)15-7-6-13(18)20-2/h3-5,8H,6-7,9H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate?
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate has a molecular weight of 278.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 60637105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).