3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid

C9H15N3O3 — CID 122604949

IUPAC3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid
SMILESN#CC1(OCCN)CCCN(C(=O)O)C1
InChIInChI=1S/C9H15N3O3/c10-3-5-15-9(6-11)2-1-4-12(7-9)8(13)14/h1-5,7,10H2,(H,13,14)
InChIKeyWNOYJXRRFVVQJI-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.00
Rot. Bonds3

About 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid

3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid (PubChem CID 122604949) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid
PubChem CID122604949
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid
SMILESN#CC1(OCCN)CCCN(C(=O)O)C1
InChIInChI=1S/C9H15N3O3/c10-3-5-15-9(6-11)2-1-4-12(7-9)8(13)14/h1-5,7,10H2,(H,13,14)
InChIKeyWNOYJXRRFVVQJI-UHFFFAOYSA-N
XLogP-0.00
TPSA99.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
CID 150512700
2-aminoethyl piperidine-1-carboxylate
CID 58684414
(1-cyanocyclobutyl) 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 119038616
benzyl (3R)-3-cyano-3-hydroxypiperidine-1-carboxylate
CID 98124909
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
CID 123427706
(1-cyanocyclobutyl) cyclopentanecarboxylate
CID 123468975
2,9-diazaspiro[5.5]undecane-2-carboxylic acid
CID 68609636
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 69177569
tert-butyl (3S)-3-[(2S)-3-amino-2-hydroxypropyl]-3-cyanopiperidine-1-carboxylate
CID 125452485
4-cyano-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylic acid
CID 118238467
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid?
The IUPAC name of 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid (CID 122604949) is 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid?
The canonical SMILES for 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid is N#CC1(OCCN)CCCN(C(=O)O)C1.
What is the InChIKey of 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid?
The InChIKey is WNOYJXRRFVVQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-3-5-15-9(6-11)2-1-4-12(7-9)8(13)14/h1-5,7,10H2,(H,13,14).
What are the key properties of 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid?
3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-3-cyanopiperidine-1-carboxylic acid is sourced from PubChem (CID 122604949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).