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

C12H16N2O3 — CID 62638791

IUPAC2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
SMILESCNC(C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(13-2)12(17)14(8-11(15)16)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H,15,16)
InChIKeyIETNRCHNSOUMQI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.71
Rot. Bonds5

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

2-[N-[2-(methylamino)propanoyl]anilino]acetic acid (PubChem CID 62638791) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
PubChem CID62638791
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
SMILESCNC(C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-9(13-2)12(17)14(8-11(15)16)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H,15,16)
InChIKeyIETNRCHNSOUMQI-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid
CID 22821679
2-(N-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]anilino)acetic acid
CID 22894878
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
CID 61499192
3-[2-methyl-N-[2-(methylamino)propanoyl]anilino]propanoic acid
CID 55096511
3-[N-(2-acetamidopropanoyl)anilino]propanoic acid
CID 60830268
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
2-[N-[2-(1,2,4-triazol-1-yl)propanoyl]anilino]acetic acid
CID 60831998

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid?
The IUPAC name of 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid (CID 62638791) is 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid is CNC(C)C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid?
The InChIKey is IETNRCHNSOUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(13-2)12(17)14(8-11(15)16)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid?
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(methylamino)propanoyl]anilino]acetic acid is sourced from PubChem (CID 62638791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).