3-amino-1-prop-2-enylpiperidine-3-carboxylic acid

C9H16N2O2 — CID 117011810

IUPAC3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CCN1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C9H16N2O2/c1-2-5-11-6-3-4-9(10,7-11)8(12)13/h2H,1,3-7,10H2,(H,12,13)
InChIKeySEWUBBQVSOQWCM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid

3-amino-1-prop-2-enylpiperidine-3-carboxylic acid (PubChem CID 117011810) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
PubChem CID117011810
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-amino-1-prop-2-enylpiperidine-3-carboxylic acid
SMILESC=CCN1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C9H16N2O2/c1-2-5-11-6-3-4-9(10,7-11)8(12)13/h2H,1,3-7,10H2,(H,12,13)
InChIKeySEWUBBQVSOQWCM-UHFFFAOYSA-N
XLogP0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid
CID 139615841
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
(3R)-3-amino-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxylic acid
CID 153347426
1-prop-2-enylpiperidine;urea
CID 66978518
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
2-(3-methyl-1-prop-2-enylpyrrolidin-3-yl)acetic acid
CID 117013117
3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
CID 117011842
1-aminocyclopentane-1-carboxylic acid
CID 2901
3-amino-1-cycloheptylpiperidine-3-carboxylic acid
CID 117011831
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid (CID 117011810) is 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid is C=CCN1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid?
The InChIKey is SEWUBBQVSOQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-5-11-6-3-4-9(10,7-11)8(12)13/h2H,1,3-7,10H2,(H,12,13).
What are the key properties of 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid?
3-amino-1-prop-2-enylpiperidine-3-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-prop-2-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 117011810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).