(2R)-1-butylpiperidine-2-carboxylic acid

C10H19NO2 — CID 40787093

IUPAC(2R)-1-butylpiperidine-2-carboxylic acid
SMILESCCCCN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-7-11-8-5-4-6-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYUKQVPZDQNCWOA-SECBINFHSA-N
MW185.27 g/mol
LogP1.73
Rot. Bonds4

About (2R)-1-butylpiperidine-2-carboxylic acid

(2R)-1-butylpiperidine-2-carboxylic acid (PubChem CID 40787093) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-1-butylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-butylpiperidine-2-carboxylic acid
PubChem CID40787093
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R)-1-butylpiperidine-2-carboxylic acid
SMILESCCCCN1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-7-11-8-5-4-6-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYUKQVPZDQNCWOA-SECBINFHSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
CID 172742310
CID 172742310
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-(3-ethylsulfonylpropyl)azocane-2-carboxylic acid
CID 114239893
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(4,4-dimethylpentyl)azocane-2-carboxylic acid
CID 114239890
1-(2-propoxyethyl)azepane-2-carboxylic acid
CID 106454718
1-butylpyrrolidine-2-carboxamide
CID 19388617
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-butylpiperidine-2-carboxylic acid (CID 40787093) is (2R)-1-butylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-butylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-butylpiperidine-2-carboxylic acid is CCCCN1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-butylpiperidine-2-carboxylic acid?
The InChIKey is YUKQVPZDQNCWOA-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-7-11-8-5-4-6-9(11)10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-1-butylpiperidine-2-carboxylic acid?
(2R)-1-butylpiperidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butylpiperidine-2-carboxylic acid is sourced from PubChem (CID 40787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).