(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid

C9H13NO2 — CID 28819925

IUPAC(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid
SMILESC#CCN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C9H13NO2/c1-2-6-10-7-4-3-5-8(10)9(11)12/h1,8H,3-7H2,(H,11,12)/t8-/m1/s1
InChIKeyCHWCHFSOHNZGKJ-MRVPVSSYSA-N
MW167.21 g/mol
LogP0.56
Rot. Bonds2

About (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid

(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid (PubChem CID 28819925) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid
PubChem CID28819925
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid
SMILESC#CCN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C9H13NO2/c1-2-6-10-7-4-3-5-8(10)9(11)12/h1,8H,3-7H2,(H,11,12)/t8-/m1/s1
InChIKeyCHWCHFSOHNZGKJ-MRVPVSSYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-ynylazepane-2-carboxylic acid
CID 64563153
(2S)-1-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 34180665
(2S)-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 121226761
2-methoxy-1-(1-prop-2-ynylpiperidin-2-yl)ethanone
CID 143198247
1-(2-deuterioethyl)piperidine-2-carboxylic acid
CID 139894502
(2S)-1-(2,2-dimethylpropyl)piperidine-2-carboxylic acid
CID 139572604
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
1-(3-methylbut-2-enyl)piperidine-2-carboxylic acid
CID 43441382
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676

Frequently Asked Questions

What is the IUPAC name of (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid (CID 28819925) is (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid is C#CCN1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid?
The InChIKey is CHWCHFSOHNZGKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-6-10-7-4-3-5-8(10)9(11)12/h1,8H,3-7H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid?
(2R)-1-prop-2-ynylpiperidine-2-carboxylic acid has a molecular weight of 167.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-prop-2-ynylpiperidine-2-carboxylic acid is sourced from PubChem (CID 28819925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).