4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid

C11H21NO2 — CID 60833795

IUPAC4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid
SMILESC/C=C/CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-8-12(10(2)3)9-6-7-11(13)14/h4-5,10H,6-9H2,1-3H3,(H,13,14)/b5-4+
InChIKeyQUYVUCKLQPVAJF-SNAWJCMRSA-N
MW199.29 g/mol
LogP2.14
Rot. Bonds7

About 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid

4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid (PubChem CID 60833795) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid
PubChem CID60833795
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid
SMILESC/C=C/CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-8-12(10(2)3)9-6-7-11(13)14/h4-5,10H,6-9H2,1-3H3,(H,13,14)/b5-4+
InChIKeyQUYVUCKLQPVAJF-SNAWJCMRSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid (CID 60833795) is 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid is C/C=C/CN(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid?
The InChIKey is QUYVUCKLQPVAJF-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-8-12(10(2)3)9-6-7-11(13)14/h4-5,10H,6-9H2,1-3H3,(H,13,14)/b5-4+.
What are the key properties of 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid?
4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60833795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).