4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid

C13H22N2O4 — CID 104914473

IUPAC4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)[C@H]1CCCCN1
InChIInChI=1S/C13H22N2O4/c16-11(10-3-1-2-6-14-10)15-9-13(12(17)18)4-7-19-8-5-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyFCJBAQKTUVFUBO-SNVBAGLBSA-N
MW270.33 g/mol
LogP0.13
Rot. Bonds4

About 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid

4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 104914473) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID104914473
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)[C@H]1CCCCN1
InChIInChI=1S/C13H22N2O4/c16-11(10-3-1-2-6-14-10)15-9-13(12(17)18)4-7-19-8-5-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyFCJBAQKTUVFUBO-SNVBAGLBSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(azepane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442641
4-[(thiomorpholine-3-carbonylamino)methyl]oxane-4-carboxylic acid
CID 82917777
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901353
4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 114429382
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232
N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 113293938
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 104914457
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119885272
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid (CID 104914473) is 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)[C@H]1CCCCN1.
What is the InChIKey of 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is FCJBAQKTUVFUBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(10-3-1-2-6-14-10)15-9-13(12(17)18)4-7-19-8-5-13/h10,14H,1-9H2,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 104914473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).