2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid

C7H12N2O2 — CID 69404602

IUPAC2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid
SMILESNC(CN1CC=CC1)C(=O)O
InChIInChI=1S/C7H12N2O2/c8-6(7(10)11)5-9-3-1-2-4-9/h1-2,6H,3-5,8H2,(H,10,11)
InChIKeyUMWQSCXOOZSRBV-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.73
Rot. Bonds3

About 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid

2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid (PubChem CID 69404602) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid
PubChem CID69404602
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid
SMILESNC(CN1CC=CC1)C(=O)O
InChIInChI=1S/C7H12N2O2/c8-6(7(10)11)5-9-3-1-2-4-9/h1-2,6H,3-5,8H2,(H,10,11)
InChIKeyUMWQSCXOOZSRBV-UHFFFAOYSA-N
XLogP-0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid (CID 69404602) is 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid is NC(CN1CC=CC1)C(=O)O.
What is the InChIKey of 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
The InChIKey is UMWQSCXOOZSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-6(7(10)11)5-9-3-1-2-4-9/h1-2,6H,3-5,8H2,(H,10,11).
What are the key properties of 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid?
2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid has a molecular weight of 156.19 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dihydropyrrol-1-yl)propanoic acid is sourced from PubChem (CID 69404602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).