2-amino-4-(but-3-enylamino)butanoic acid

C8H16N2O2 — CID 168931467

IUPAC2-amino-4-(but-3-enylamino)butanoic acid
SMILESC=CCCNCCC(N)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-2-3-5-10-6-4-7(9)8(11)12/h2,7,10H,1,3-6,9H2,(H,11,12)
InChIKeyRBCIJIZHZXAELH-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.05
Rot. Bonds7

About 2-amino-4-(but-3-enylamino)butanoic acid

2-amino-4-(but-3-enylamino)butanoic acid (PubChem CID 168931467) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-amino-4-(but-3-enylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(but-3-enylamino)butanoic acid
PubChem CID168931467
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-amino-4-(but-3-enylamino)butanoic acid
SMILESC=CCCNCCC(N)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-2-3-5-10-6-4-7(9)8(11)12/h2,7,10H,1,3-6,9H2,(H,11,12)
InChIKeyRBCIJIZHZXAELH-UHFFFAOYSA-N
XLogP-0.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-(4-aminobutylamino)butyric acid
CID 70678731
2-Amino-4-(2-methylprop-2-enylamino)butanoic acid
CID 58112307
4-(But-3-en-2-ylamino)butanoic acid
CID 62388268
2-Amino-4-(2,5-dihydropyrrol-1-yl)butanoic acid
CID 69405467
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
3-Carboxypropyl(hepta-1,6-dien-4-yl)azanium chloride
CID 140086990
Ethane;2-(ethylamino)pent-4-enoic acid
CID 142528806
2-(Dimethylamino)-4-(prop-2-enylamino)butanoic acid
CID 175097656
(2S)-4-amino-2-(prop-2-enylamino)butanoic acid
CID 176000513
2-Amino-4-[(4-aminobutyl)amino]butanoic acid
CID 46174065
4-(But-3-enylamino)butanoic acid
CID 64316308

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(but-3-enylamino)butanoic acid?
The IUPAC name of 2-amino-4-(but-3-enylamino)butanoic acid (CID 168931467) is 2-amino-4-(but-3-enylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(but-3-enylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(but-3-enylamino)butanoic acid is C=CCCNCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(but-3-enylamino)butanoic acid?
The InChIKey is RBCIJIZHZXAELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-5-10-6-4-7(9)8(11)12/h2,7,10H,1,3-6,9H2,(H,11,12).
What are the key properties of 2-amino-4-(but-3-enylamino)butanoic acid?
2-amino-4-(but-3-enylamino)butanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(but-3-enylamino)butanoic acid is sourced from PubChem (CID 168931467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).