2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid

C8H14N2O4 — CID 104867451

IUPAC2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C8H14N2O4/c11-7(12)5-14-10-8(13)6-2-1-3-9-4-6/h6,9H,1-5H2,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKeyWIBKOMJRSFXJIM-ZCFIWIBFSA-N
MW202.21 g/mol
LogP-0.88
Rot. Bonds4

About 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid

2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid (PubChem CID 104867451) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid
PubChem CID104867451
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C8H14N2O4/c11-7(12)5-14-10-8(13)6-2-1-3-9-4-6/h6,9H,1-5H2,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKeyWIBKOMJRSFXJIM-ZCFIWIBFSA-N
XLogP-0.88
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
CID 81134707
N-ethoxypyrrolidine-3-carboxamide
CID 64974765
ethane;piperidine-3-carbohydrazide
CID 143869941
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917
(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid?
The IUPAC name of 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid (CID 104867451) is 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid is O=C(O)CONC(=O)[C@@H]1CCCNC1.
What is the InChIKey of 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid?
The InChIKey is WIBKOMJRSFXJIM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-7(12)5-14-10-8(13)6-2-1-3-9-4-6/h6,9H,1-5H2,(H,10,13)(H,11,12)/t6-/m1/s1.
What are the key properties of 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid?
2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid has a molecular weight of 202.21 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid is sourced from PubChem (CID 104867451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).