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

C11H19NO4 — CID 70196600

IUPAC(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
SMILESCCCCOC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-3-8-16-11(15)12-7-5-4-6-9(12)10(13)14/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGIUFCZWBZFYLCM-SECBINFHSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds4

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

(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid (PubChem CID 70196600) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
PubChem CID70196600
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
SMILESCCCCOC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-3-8-16-11(15)12-7-5-4-6-9(12)10(13)14/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGIUFCZWBZFYLCM-SECBINFHSA-N
XLogP1.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
CID 10976836
(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
CID 69461964
1-O-butyl 2-O-tetradecyl piperidine-1,2-dicarboxylate
CID 91728540
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
butyl 2-(diaminomethylideneamino)piperidine-1-carboxylate
CID 67426103
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
2-O-butyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 67523029
1-decanoylazepane-2-carboxylic acid
CID 64558604
butyl 2-(2-chloro-2-oxoethyl)piperidine-1-carboxylate
CID 126513567

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid (CID 70196600) is (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid is CCCCOC(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid?
The InChIKey is GIUFCZWBZFYLCM-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-3-8-16-11(15)12-7-5-4-6-9(12)10(13)14/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid?
(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butoxycarbonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 70196600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).