2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid

C11H16N2O3 — CID 66399895

IUPAC2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid
SMILESCCCn1ccc(CC(NC=O)C(=O)O)c1
InChIInChI=1S/C11H16N2O3/c1-2-4-13-5-3-9(7-13)6-10(11(15)16)12-8-14/h3,5,7-8,10H,2,4,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyBCAUOHYSQUPFMB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.64
Rot. Bonds7

About 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid

2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid (PubChem CID 66399895) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid
PubChem CID66399895
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid
SMILESCCCn1ccc(CC(NC=O)C(=O)O)c1
InChIInChI=1S/C11H16N2O3/c1-2-4-13-5-3-9(7-13)6-10(11(15)16)12-8-14/h3,5,7-8,10H,2,4,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyBCAUOHYSQUPFMB-UHFFFAOYSA-N
XLogP0.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.64
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

3-(1-ethylpyrrol-3-yl)-2-formamidopropanoic acid
CID 66399894
2-formamido-3-(4-pyrrol-1-ylphenyl)propanoic acid
CID 23458844
1-(1-propylpyrrol-3-yl)propan-2-amine
CID 14739640
2-formamido-3-phenylpropanoic acid;pyrazine
CID 174670017
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
N,N-diethyl-2-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66413975
3-(2-ethylpyrazol-3-yl)-2-formamidopropanoic acid
CID 114557566
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
CID 89181328
1-propylpyrrole-3-carboxylic acid
CID 70182484
2-formamido-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107043216

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid?
The IUPAC name of 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid (CID 66399895) is 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid.
What is the SMILES notation for 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid?
The canonical SMILES for 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid is CCCn1ccc(CC(NC=O)C(=O)O)c1.
What is the InChIKey of 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid?
The InChIKey is BCAUOHYSQUPFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-4-13-5-3-9(7-13)6-10(11(15)16)12-8-14/h3,5,7-8,10H,2,4,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid?
2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-(1-propylpyrrol-3-yl)propanoic acid is sourced from PubChem (CID 66399895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).