2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid

C13H18N2O3 — CID 79202529

IUPAC2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
SMILESCNCC(C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(8-14-2)13(18)15(9-12(16)17)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,16,17)
InChIKeyLKWZHPKLFAZFNP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.96
Rot. Bonds6

About 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid

2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid (PubChem CID 79202529) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
PubChem CID79202529
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
SMILESCNCC(C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(8-14-2)13(18)15(9-12(16)17)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,16,17)
InChIKeyLKWZHPKLFAZFNP-UHFFFAOYSA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
2-(3-chloro-N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202960
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide;hydrochloride
CID 119670324
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
N-ethyl-2-methyl-3-(methylamino)-N-(2-methylphenyl)propanamide
CID 79196148
2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid
CID 79201889
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid
CID 22821679
N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid (CID 79202529) is 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid is CNCC(C)C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid?
The InChIKey is LKWZHPKLFAZFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(8-14-2)13(18)15(9-12(16)17)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid?
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid is sourced from PubChem (CID 79202529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).