3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid

C10H14N2O3 — CID 66399894

IUPAC3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid
SMILESCCn1ccc(CC(NC=O)C(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-2-12-4-3-8(6-12)5-9(10(14)15)11-7-13/h3-4,6-7,9H,2,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyCINLFUPZIIKFMR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.25
Rot. Bonds6

About 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid

3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid (PubChem CID 66399894) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid.

Molecular Properties

Compound Name3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid
PubChem CID66399894
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid
SMILESCCn1ccc(CC(NC=O)C(=O)O)c1
InChIInChI=1S/C10H14N2O3/c1-2-12-4-3-8(6-12)5-9(10(14)15)11-7-13/h3-4,6-7,9H,2,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyCINLFUPZIIKFMR-UHFFFAOYSA-N
XLogP0.25
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid
CID 66399895
2-formamido-3-(4-pyrrol-1-ylphenyl)propanoic acid
CID 23458844
3-(2-ethylpyrazol-3-yl)-2-formamidopropanoic acid
CID 114557566
2-formamido-3-phenylpropanoic acid;pyrazine
CID 174670017
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
3-(3,4-dihydroxyphenyl)-2-formamidopropanoic acid;2-methoxy-2-methylpropane
CID 142261383
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
CID 89181328
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
methyl 2-formamido-3-phenylpropanoate
CID 595529
3-(3-chloro-5-fluorophenyl)-2-formamidopropanoic acid
CID 114453723
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
N-cyclohexylcyclohexanamine;(2S)-2-formamido-3-(4-hydroxyphenyl)propanoic acid
CID 71352551

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid?
The IUPAC name of 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid (CID 66399894) is 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid.
What is the SMILES notation for 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid?
The canonical SMILES for 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid is CCn1ccc(CC(NC=O)C(=O)O)c1.
What is the InChIKey of 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid?
The InChIKey is CINLFUPZIIKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-12-4-3-8(6-12)5-9(10(14)15)11-7-13/h3-4,6-7,9H,2,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid?
3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid is sourced from PubChem (CID 66399894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).