4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid

C10H18N2O2 — CID 77006059

IUPAC4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1CCCC(N)C1
InChIInChI=1S/C10H18N2O2/c1-8(5-10(13)14)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7,11H2,1H3,(H,13,14)
InChIKeyRRXDLTAMLYJVKT-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.44
Rot. Bonds3

About 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid

4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid (PubChem CID 77006059) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid
PubChem CID77006059
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1CCCC(N)C1
InChIInChI=1S/C10H18N2O2/c1-8(5-10(13)14)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7,11H2,1H3,(H,13,14)
InChIKeyRRXDLTAMLYJVKT-UHFFFAOYSA-N
XLogP0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(methoxymethyl)piperidin-1-yl]-3-methylbut-2-enoic acid
CID 106587562
(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
CID 106439538
4-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbut-2-enoic acid
CID 102959453
4-(3,4-dihydroxypyrrolidin-1-yl)-3-methylbut-2-enoic acid
CID 106670177
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
4-(2-ethylpyrrolidin-1-yl)-3-methylbut-2-enoic acid
CID 77005923
(E)-3-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoic acid
CID 55237498
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
1-(2-methylbut-2-enyl)piperidine-3-carboxamide
CID 2845933
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-(3-aminopiperidin-1-yl)-N-prop-2-enylacetamide
CID 61297429

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid (CID 77006059) is 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid is CC(=CC(=O)O)CN1CCCC(N)C1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid?
The InChIKey is RRXDLTAMLYJVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(5-10(13)14)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7,11H2,1H3,(H,13,14).
What are the key properties of 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid?
4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid has a molecular weight of 198.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid is sourced from PubChem (CID 77006059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).