4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid

C13H22N2O4 — CID 115439966

IUPAC4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)[C@@H]1CCCNC1
InChIInChI=1S/C13H22N2O4/c16-11(10-2-1-5-14-8-10)15-9-13(12(17)18)3-6-19-7-4-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeySZMIBCSQUYQABZ-SNVBAGLBSA-N
MW270.33 g/mol
LogP-0.02
Rot. Bonds4

About 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid

4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 115439966) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID115439966
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)[C@@H]1CCCNC1
InChIInChI=1S/C13H22N2O4/c16-11(10-2-1-5-14-8-10)15-9-13(12(17)18)3-6-19-7-4-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeySZMIBCSQUYQABZ-SNVBAGLBSA-N
XLogP-0.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
4-methyl-1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442616
4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
CID 115292352
4-[[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541675
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 119896432
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134846
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151

Frequently Asked Questions

What is the IUPAC name of 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid (CID 115439966) is 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)[C@@H]1CCCNC1.
What is the InChIKey of 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is SZMIBCSQUYQABZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(10-2-1-5-14-8-10)15-9-13(12(17)18)3-6-19-7-4-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115439966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).