2-(prop-2-enylamino)butanoic acid

C7H13NO2 — CID 16724039

IUPAC2-(prop-2-enylamino)butanoic acid
SMILESC=CCNC(CC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5-8-6(4-2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)
InChIKeyKUKKLNHMVVDXHC-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds5

About 2-(prop-2-enylamino)butanoic acid

2-(prop-2-enylamino)butanoic acid (PubChem CID 16724039) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(prop-2-enylamino)butanoic acid.

Molecular Properties

Compound Name2-(prop-2-enylamino)butanoic acid
PubChem CID16724039
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(prop-2-enylamino)butanoic acid
SMILESC=CCNC(CC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5-8-6(4-2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)
InChIKeyKUKKLNHMVVDXHC-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamidopent-4-enoic acid
CID 321142
(S)-4,5-Didehydropipecolic acid
CID 441442
1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid
CID 557590
Allyl aspartic acid
CID 24833893
N-(2-propenyl)alanine
CID 45086547
Prenylalanine
CID 83192655
Methylene cyclopropylalanine
CID 129713697
2-(Ethylamino)butanoic acid
CID 15677247
Allyl-selenocysteine
CID 87280558
4-Methoxy-4-oxo-2-(prop-2-enylamino)butanoic acid
CID 132341923
(R)-1,2,3,6-Tetrahydropyridine-2-carboxylic acid
CID 12299948
N-Allyl-DL-alanine
CID 13326683

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)butanoic acid?
The IUPAC name of 2-(prop-2-enylamino)butanoic acid (CID 16724039) is 2-(prop-2-enylamino)butanoic acid.
What is the SMILES notation for 2-(prop-2-enylamino)butanoic acid?
The canonical SMILES for 2-(prop-2-enylamino)butanoic acid is C=CCNC(CC)C(=O)O.
What is the InChIKey of 2-(prop-2-enylamino)butanoic acid?
The InChIKey is KUKKLNHMVVDXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-8-6(4-2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 2-(prop-2-enylamino)butanoic acid?
2-(prop-2-enylamino)butanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)butanoic acid is sourced from PubChem (CID 16724039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).