2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid

C23H24N2O4 — CID 119245465

IUPAC2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)c1C
InChIInChI=1S/C23H24N2O4/c1-13-20(15(3)26)14(2)25-21(13)22(27)24-12-19(23(28)29)11-16-8-9-17-6-4-5-7-18(17)10-16/h4-10,19,25H,11-12H2,1-3H3,(H,24,27)(H,28,29)
InChIKeyOBQAYMWEAXFOQB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.66
Rot. Bonds7

About 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid

2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid (PubChem CID 119245465) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
PubChem CID119245465
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)c1C
InChIInChI=1S/C23H24N2O4/c1-13-20(15(3)26)14(2)25-21(13)22(27)24-12-19(23(28)29)11-16-8-9-17-6-4-5-7-18(17)10-16/h4-10,19,25H,11-12H2,1-3H3,(H,24,27)(H,28,29)
InChIKeyOBQAYMWEAXFOQB-UHFFFAOYSA-N
XLogP3.66
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid with MolForge

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Related Compounds

2-(naphthalen-2-ylmethyl)-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 119245426
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644
2-[[(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245404
2-[(2,4-dimethylpent-4-enoylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687756
2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
CID 155950289
2-[[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120527157
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
(2R)-2-[[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 97234505
4-acetyl-3,5-dimethyl-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 51332477
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid (CID 119245465) is 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid is CC(=O)c1c(C)[nH]c(C(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)c1C.
What is the InChIKey of 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is OBQAYMWEAXFOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-13-20(15(3)26)14(2)25-21(13)22(27)24-12-19(23(28)29)11-16-8-9-17-6-4-5-7-18(17)10-16/h4-10,19,25H,11-12H2,1-3H3,(H,24,27)(H,28,29).
What are the key properties of 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid?
2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 392.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 119245465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).