3-[but-3-en-2-yl(ethyl)amino]butanoic acid

C10H19NO2 — CID 62828162

IUPAC3-[but-3-en-2-yl(ethyl)amino]butanoic acid
SMILESC=CC(C)N(CC)C(C)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-5-8(3)11(6-2)9(4)7-10(12)13/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyOWIBGENLQPIFSX-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds6

About 3-[but-3-en-2-yl(ethyl)amino]butanoic acid

3-[but-3-en-2-yl(ethyl)amino]butanoic acid (PubChem CID 62828162) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[but-3-en-2-yl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[but-3-en-2-yl(ethyl)amino]butanoic acid
PubChem CID62828162
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[but-3-en-2-yl(ethyl)amino]butanoic acid
SMILESC=CC(C)N(CC)C(C)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-5-8(3)11(6-2)9(4)7-10(12)13/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyOWIBGENLQPIFSX-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
2-[but-3-en-2-yl(ethyl)amino]acetic acid
CID 62381772
3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 62826739
3-[ethyl-(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 114494908
3-methylbutanoic acid;prop-2-enamide
CID 146306740
2-[but-3-en-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258697
3-[methyl(trimethylsilyl)amino]pent-4-enoic acid
CID 88850739
3-[ethyl(1-phenylbutyl)amino]butanoic acid
CID 65061148
3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
CID 65060993
(3R)-3-ethenylhexanoic acid
CID 55301979
3-[2-chloroprop-2-enyl(ethyl)amino]butanoic acid
CID 62826565
(3S)-3-hydroxypent-4-enoic acid
CID 12740485

Frequently Asked Questions

What is the IUPAC name of 3-[but-3-en-2-yl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[but-3-en-2-yl(ethyl)amino]butanoic acid (CID 62828162) is 3-[but-3-en-2-yl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[but-3-en-2-yl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[but-3-en-2-yl(ethyl)amino]butanoic acid is C=CC(C)N(CC)C(C)CC(=O)O.
What is the InChIKey of 3-[but-3-en-2-yl(ethyl)amino]butanoic acid?
The InChIKey is OWIBGENLQPIFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-8(3)11(6-2)9(4)7-10(12)13/h5,8-9H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of 3-[but-3-en-2-yl(ethyl)amino]butanoic acid?
3-[but-3-en-2-yl(ethyl)amino]butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[but-3-en-2-yl(ethyl)amino]butanoic acid is sourced from PubChem (CID 62828162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).