2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid

C13H18N2O3 — CID 79202787

IUPAC2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
SMILESCNCC(C)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-9(8-14-2)13(18)15-11-5-3-4-10(6-11)7-12(16)17/h3-6,9,14H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLFXAVTWUJCWPPG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.11
Rot. Bonds6

About 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid

2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid (PubChem CID 79202787) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
PubChem CID79202787
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid
SMILESCNCC(C)C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C13H18N2O3/c1-9(8-14-2)13(18)15-11-5-3-4-10(6-11)7-12(16)17/h3-6,9,14H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLFXAVTWUJCWPPG-UHFFFAOYSA-N
XLogP1.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic 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-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119768832
N-[3-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119702019
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119784303
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179
2-[3-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119351585
2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
CID 119671136
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid (CID 79202787) is 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid is CNCC(C)C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid?
The InChIKey is LFXAVTWUJCWPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(8-14-2)13(18)15-11-5-3-4-10(6-11)7-12(16)17/h3-6,9,14H,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid?
2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 79202787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).