2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid

C8H14N2O2 — CID 69405467

IUPAC2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid
SMILESNC(CCN1CC=CC1)C(=O)O
InChIInChI=1S/C8H14N2O2/c9-7(8(11)12)3-6-10-4-1-2-5-10/h1-2,7H,3-6,9H2,(H,11,12)
InChIKeyCFESAJKRMAVFAY-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.34
Rot. Bonds4

About 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid

2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid (PubChem CID 69405467) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid
PubChem CID69405467
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid
SMILESNC(CCN1CC=CC1)C(=O)O
InChIInChI=1S/C8H14N2O2/c9-7(8(11)12)3-6-10-4-1-2-5-10/h1-2,7H,3-6,9H2,(H,11,12)
InChIKeyCFESAJKRMAVFAY-UHFFFAOYSA-N
XLogP-0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-(2,3-dihydropyrrol-1-yl)butanoic acid
CID 69407362
4-Amino-2-[2-aminoethyl(prop-2-enyl)amino]butanoic acid
CID 87059533
2-Amino-4-(but-3-enylamino)butanoic acid
CID 168931467
2-(Dimethylamino)-4-(prop-2-enylamino)butanoic acid
CID 175097656
(2S)-4-amino-2-(prop-2-enylamino)butanoic acid
CID 176000513
[1-Carboxy-3-(prop-2-enylamino)propyl]-trimethylazanium
CID 88332281
2-Amino-4-(prop-2-enylamino)butanoic acid
CID 117570929

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid (CID 69405467) is 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid is NC(CCN1CC=CC1)C(=O)O.
What is the InChIKey of 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid?
The InChIKey is CFESAJKRMAVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-7(8(11)12)3-6-10-4-1-2-5-10/h1-2,7H,3-6,9H2,(H,11,12).
What are the key properties of 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid?
2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid has a molecular weight of 170.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid is sourced from PubChem (CID 69405467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).