2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid

C20H20N4O4 — CID 72880150

IUPAC2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
SMILESCc1ccc2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)O)cn2c1
InChIInChI=1S/C20H20N4O4/c1-13-7-8-17-22-16(12-24(17)11-13)20(28)23-15(19(27)21-10-18(25)26)9-14-5-3-2-4-6-14/h2-8,11-12,15H,9-10H2,1H3,(H,21,27)(H,23,28)(H,25,26)/t15-/m0/s1
InChIKeyAZQWEYPCXVOKFJ-HNNXBMFYSA-N
MW380.40 g/mol
LogP1.18
Rot. Bonds7

About 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid

2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid (PubChem CID 72880150) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
PubChem CID72880150
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
SMILESCc1ccc2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)O)cn2c1
InChIInChI=1S/C20H20N4O4/c1-13-7-8-17-22-16(12-24(17)11-13)20(28)23-15(19(27)21-10-18(25)26)9-14-5-3-2-4-6-14/h2-8,11-12,15H,9-10H2,1H3,(H,21,27)(H,23,28)(H,25,26)/t15-/m0/s1
InChIKeyAZQWEYPCXVOKFJ-HNNXBMFYSA-N
XLogP1.18
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(2S)-2-[[2-[[(2S)-2-[[1-(carboxymethyl)triazole-4-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 11827991
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
2-[[6-[2-(4-methylphenyl)ethenyl]imidazo[1,2-a]pyridine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 68667288
2-[[(2S)-3-(4-methylphenyl)-2-[[(2R)-2-methyl-4-phenylbutanoyl]amino]propanoyl]amino]acetic acid;toluene
CID 143947114
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
2-[[(2S)-2-[[2-[[(2S)-2-[[1-(2-amino-2-phenylethyl)triazole-4-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 11814276
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 6992441
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
N-(2-acetamidoethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 77092893
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetic acid
CID 7014899
2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4908213

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid (CID 72880150) is 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid is Cc1ccc2nc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)O)cn2c1.
What is the InChIKey of 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
The InChIKey is AZQWEYPCXVOKFJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-7-8-17-22-16(12-24(17)11-13)20(28)23-15(19(27)21-10-18(25)26)9-14-5-3-2-4-6-14/h2-8,11-12,15H,9-10H2,1H3,(H,21,27)(H,23,28)(H,25,26)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid?
2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid has a molecular weight of 380.40 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(6-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid is sourced from PubChem (CID 72880150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).