2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid

C9H15N3O5 — CID 63914917

IUPAC2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
SMILESNC(=O)N1CCCC(C(=O)NOCC(=O)O)C1
InChIInChI=1S/C9H15N3O5/c10-9(16)12-3-1-2-6(4-12)8(15)11-17-5-7(13)14/h6H,1-5H2,(H2,10,16)(H,11,15)(H,13,14)
InChIKeyZOIDVHGLEVOTNA-UHFFFAOYSA-N
MW245.23 g/mol
LogP-1.09
Rot. Bonds4

About 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid

2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid (PubChem CID 63914917) has the molecular formula C9H15N3O5 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
PubChem CID63914917
Molecular FormulaC9H15N3O5
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
SMILESNC(=O)N1CCCC(C(=O)NOCC(=O)O)C1
InChIInChI=1S/C9H15N3O5/c10-9(16)12-3-1-2-6(4-12)8(15)11-17-5-7(13)14/h6H,1-5H2,(H2,10,16)(H,11,15)(H,13,14)
InChIKeyZOIDVHGLEVOTNA-UHFFFAOYSA-N
XLogP-1.09
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.09
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

3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
CID 81340627
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
CID 113498394
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
N-(2-amino-2-oxoethoxy)cycloheptanecarboxamide
CID 112550660
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
1-[(1-carbamoylpiperidine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164173
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950

Frequently Asked Questions

What is the IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid (CID 63914917) is 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid is NC(=O)N1CCCC(C(=O)NOCC(=O)O)C1.
What is the InChIKey of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid?
The InChIKey is ZOIDVHGLEVOTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5/c10-9(16)12-3-1-2-6(4-12)8(15)11-17-5-7(13)14/h6H,1-5H2,(H2,10,16)(H,11,15)(H,13,14).
What are the key properties of 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid?
2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid has a molecular weight of 245.23 g/mol, XLogP of -1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 63914917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).