3-amino-1-butylpiperidine-3-carboxylic acid

C10H20N2O2 — CID 117011811

IUPAC3-amino-1-butylpiperidine-3-carboxylic acid
SMILESCCCCN1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-2-3-6-12-7-4-5-10(11,8-12)9(13)14/h2-8,11H2,1H3,(H,13,14)
InChIKeyIBXWXOCYNRTSLC-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-1-butylpiperidine-3-carboxylic acid

3-amino-1-butylpiperidine-3-carboxylic acid (PubChem CID 117011811) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-1-butylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-butylpiperidine-3-carboxylic acid
PubChem CID117011811
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-1-butylpiperidine-3-carboxylic acid
SMILESCCCCN1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-2-3-6-12-7-4-5-10(11,8-12)9(13)14/h2-8,11H2,1H3,(H,13,14)
InChIKeyIBXWXOCYNRTSLC-UHFFFAOYSA-N
XLogP0.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid
CID 139615841
4-amino-1-pentylpiperidine-4-carboxylic acid
CID 117011769
3-amino-1-(3-ethylsulfanylpropyl)pyrrolidine-3-carboxylic acid
CID 107320794
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
CID 117011810
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
CID 107324753
5-butyl-5-azaspiro[2.5]octane
CID 130224729

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butylpiperidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-butylpiperidine-3-carboxylic acid (CID 117011811) is 3-amino-1-butylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-butylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-butylpiperidine-3-carboxylic acid is CCCCN1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-butylpiperidine-3-carboxylic acid?
The InChIKey is IBXWXOCYNRTSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-6-12-7-4-5-10(11,8-12)9(13)14/h2-8,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-1-butylpiperidine-3-carboxylic acid?
3-amino-1-butylpiperidine-3-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butylpiperidine-3-carboxylic acid is sourced from PubChem (CID 117011811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).