(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid

C9H15NO2 — CID 14334519

IUPAC(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid
SMILESC=C(C)[C@@H]1CCCN[C@H]1C(=O)O
InChIInChI=1S/C9H15NO2/c1-6(2)7-4-3-5-10-8(7)9(11)12/h7-8,10H,1,3-5H2,2H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyUSCXXFGNRMSWFK-JGVFFNPUSA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds2

About (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid

(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid (PubChem CID 14334519) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid
PubChem CID14334519
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid
SMILESC=C(C)[C@@H]1CCCN[C@H]1C(=O)O
InChIInChI=1S/C9H15NO2/c1-6(2)7-4-3-5-10-8(7)9(11)12/h7-8,10H,1,3-5H2,2H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyUSCXXFGNRMSWFK-JGVFFNPUSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
rac-(2R,4R)-4-methylpiperidine-2-carboxylic acid hydrochloride
CID 67078918
(2S,4S)-4-Methylpiperidine-2-carboxylic acid
CID 44631639
4-Methylpiperidine-2-carboxylic acid
CID 4478243
(2S,4R)-4-methylpipecolic acid
CID 56976029
(2R,4S)-4-Methylpiperidine-2-carboxylic acid
CID 11008516
rac-(2R,3S)-3-methylpiperidine-2-carboxylic acid hydrochloride
CID 122163825
rac-(2R,4S)-4-ethylpiperidine-2-carboxylic acid hydrochloride
CID 137964507
rac-(2R,3S)-3-ethylpiperidine-2-carboxylic acid hydrochloride
CID 166000748
(2S,4R)-4-Ethylpiperidine-2-carboxylic acid
CID 45082205
5-Methylidenepiperidine-2-carboxylic acid
CID 91220064
(2S,3R)-3-methylpiperidine-2-carboxylic acid
CID 1512624

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid (CID 14334519) is (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid is C=C(C)[C@@H]1CCCN[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid?
The InChIKey is USCXXFGNRMSWFK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)7-4-3-5-10-8(7)9(11)12/h7-8,10H,1,3-5H2,2H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid?
(2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-prop-1-en-2-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 14334519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).