2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid

C14H18N2O4 — CID 62627453

IUPAC2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10(14(19)20)16(3)12(17)9-15(2)13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyGIRBHZDNGFJRLH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.69
Rot. Bonds5

About 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid

2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid (PubChem CID 62627453) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
PubChem CID62627453
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10(14(19)20)16(3)12(17)9-15(2)13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyGIRBHZDNGFJRLH-UHFFFAOYSA-N
XLogP0.69
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
2-[methyl-[2-(2-methylphenyl)acetyl]amino]propanoic acid
CID 62627248
2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
CID 119209301
2-[methyl-[2-(2-phenylethylsulfanyl)acetyl]amino]propanoic acid
CID 62626571
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
(2R)-2-[benzoyloxycarbonyl(methyl)amino]propanoic acid
CID 87701580
N-[(2Z)-2-hydroxyimino-2-phenylethyl]-N-methylbenzamide
CID 5384608

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid (CID 62627453) is 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CN(C)C(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid?
The InChIKey is GIRBHZDNGFJRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(14(19)20)16(3)12(17)9-15(2)13(18)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid?
2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 62627453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).