(2S)-2-(but-3-enylamino)propanoic acid

C7H13NO2 — CID 83194114

IUPAC(2S)-2-(but-3-enylamino)propanoic acid
SMILESC=CCCN[C@@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-6(2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)/t6-/m0/s1
InChIKeyBIBPZLSHNULEDH-LURJTMIESA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds5

About (2S)-2-(but-3-enylamino)propanoic acid

(2S)-2-(but-3-enylamino)propanoic acid (PubChem CID 83194114) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-2-(but-3-enylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(but-3-enylamino)propanoic acid
PubChem CID83194114
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-2-(but-3-enylamino)propanoic acid
SMILESC=CCCN[C@@H](C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-5-8-6(2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)/t6-/m0/s1
InChIKeyBIBPZLSHNULEDH-LURJTMIESA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(but-3-enylamino)propanoic acid?
The IUPAC name of (2S)-2-(but-3-enylamino)propanoic acid (CID 83194114) is (2S)-2-(but-3-enylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(but-3-enylamino)propanoic acid?
The canonical SMILES for (2S)-2-(but-3-enylamino)propanoic acid is C=CCCN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(but-3-enylamino)propanoic acid?
The InChIKey is BIBPZLSHNULEDH-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-8-6(2)7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(but-3-enylamino)propanoic acid?
(2S)-2-(but-3-enylamino)propanoic 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 (2S)-2-(but-3-enylamino)propanoic acid is sourced from PubChem (CID 83194114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).