(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid

C13H22N2O4 — CID 115439749

IUPAC(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
SMILESNCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCOCC1
InChIInChI=1S/C13H22N2O4/c14-9-13(3-6-19-7-4-13)12(18)15-5-1-2-10(8-15)11(16)17/h10H,1-9,14H2,(H,16,17)/t10-/m0/s1
InChIKeyXLUHIAQVWSRYPM-JTQLQIEISA-N
MW270.33 g/mol
LogP0.07
Rot. Bonds3

About (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 115439749) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID115439749
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
SMILESNCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCOCC1
InChIInChI=1S/C13H22N2O4/c14-9-13(3-6-19-7-4-13)12(18)15-5-1-2-10(8-15)11(16)17/h10H,1-9,14H2,(H,16,17)/t10-/m0/s1
InChIKeyXLUHIAQVWSRYPM-JTQLQIEISA-N
XLogP0.07
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 115441831
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 120934454
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
N-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 120929371

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid (CID 115439749) is (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid is NCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCOCC1.
What is the InChIKey of (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is XLUHIAQVWSRYPM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O4/c14-9-13(3-6-19-7-4-13)12(18)15-5-1-2-10(8-15)11(16)17/h10H,1-9,14H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 115439749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).