methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride

C15H22ClN3O4 — CID 119692969

IUPACmethyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-10(8-16-2)14(20)18-12-6-4-11(5-7-12)15(21)17-9-13(19)22-3;/h4-7,10,16H,8-9H2,1-3H3,(H,17,21)(H,18,20);1H
InChIKeyOKGTTZGRRRNZMT-UHFFFAOYSA-N
MW343.81 g/mol
LogP0.81
Rot. Bonds7

About methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride

methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride (PubChem CID 119692969) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride
PubChem CID119692969
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Namemethyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-10(8-16-2)14(20)18-12-6-4-11(5-7-12)15(21)17-9-13(19)22-3;/h4-7,10,16H,8-9H2,1-3H3,(H,17,21)(H,18,20);1H
InChIKeyOKGTTZGRRRNZMT-UHFFFAOYSA-N
XLogP0.81
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride 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

methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
CID 46569462
4-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726182
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
N,N-diethyl-4-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79203975
methyl 2-[[4-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzoyl]amino]acetate
CID 55396943

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride (CID 119692969) is methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride is CNCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1.Cl.
What is the InChIKey of methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride?
The InChIKey is OKGTTZGRRRNZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c1-10(8-16-2)14(20)18-12-6-4-11(5-7-12)15(21)17-9-13(19)22-3;/h4-7,10,16H,8-9H2,1-3H3,(H,17,21)(H,18,20);1H.
What are the key properties of methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride?
methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-methyl-3-(methylamino)propanoyl]amino]benzoyl]amino]acetate;hydrochloride is sourced from PubChem (CID 119692969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).