2-amino-3-(3H-pyrrol-5-yl)propanoic acid

C7H10N2O2 — CID 58209494

IUPAC2-amino-3-(3H-pyrrol-5-yl)propanoic acid
SMILESNC(CC1=CCC=N1)C(=O)O
InChIInChI=1S/C7H10N2O2/c8-6(7(10)11)4-5-2-1-3-9-5/h2-3,6H,1,4,8H2,(H,10,11)
InChIKeyFSIXODLVWCUEFC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.15
Rot. Bonds3

About 2-amino-3-(3H-pyrrol-5-yl)propanoic acid

2-amino-3-(3H-pyrrol-5-yl)propanoic acid (PubChem CID 58209494) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-amino-3-(3H-pyrrol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3H-pyrrol-5-yl)propanoic acid
PubChem CID58209494
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-amino-3-(3H-pyrrol-5-yl)propanoic acid
SMILESNC(CC1=CCC=N1)C(=O)O
InChIInChI=1S/C7H10N2O2/c8-6(7(10)11)4-5-2-1-3-9-5/h2-3,6H,1,4,8H2,(H,10,11)
InChIKeyFSIXODLVWCUEFC-UHFFFAOYSA-N
XLogP0.15
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
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2-amino-3-(5-bromothiophen-3-yl)propanoic acid
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2-amino-3-(2-propyl-1,3-thiazol-4-yl)propanoic acid
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(2S)-2-amino-3-phenylpropanoic acid;azane
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3H-pyrrol-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3H-pyrrol-5-yl)propanoic acid (CID 58209494) is 2-amino-3-(3H-pyrrol-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3H-pyrrol-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3H-pyrrol-5-yl)propanoic acid is NC(CC1=CCC=N1)C(=O)O.
What is the InChIKey of 2-amino-3-(3H-pyrrol-5-yl)propanoic acid?
The InChIKey is FSIXODLVWCUEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-6(7(10)11)4-5-2-1-3-9-5/h2-3,6H,1,4,8H2,(H,10,11).
What are the key properties of 2-amino-3-(3H-pyrrol-5-yl)propanoic acid?
2-amino-3-(3H-pyrrol-5-yl)propanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3H-pyrrol-5-yl)propanoic acid is sourced from PubChem (CID 58209494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).