2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid

C10H17N3O5 — CID 113498302

IUPAC2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid
SMILESCNC(=O)C1CCN(C(=O)NOCC(=O)O)CC1
InChIInChI=1S/C10H17N3O5/c1-11-9(16)7-2-4-13(5-3-7)10(17)12-18-6-8(14)15/h7H,2-6H2,1H3,(H,11,16)(H,12,17)(H,14,15)
InChIKeyBFLMYEUIVDATDI-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.83
Rot. Bonds4

About 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid

2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid (PubChem CID 113498302) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid
PubChem CID113498302
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid
SMILESCNC(=O)C1CCN(C(=O)NOCC(=O)O)CC1
InChIInChI=1S/C10H17N3O5/c1-11-9(16)7-2-4-13(5-3-7)10(17)12-18-6-8(14)15/h7H,2-6H2,1H3,(H,11,16)(H,12,17)(H,14,15)
InChIKeyBFLMYEUIVDATDI-UHFFFAOYSA-N
XLogP-0.83
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic 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

4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 62050387
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
CID 113498394
(2S)-3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440255
3-methyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 61440018
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid
CID 114538809
(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566429
4-[4-(methylcarbamoyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784854
3,3-dimethyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61440254
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 61440098

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid?
The IUPAC name of 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid (CID 113498302) is 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid is CNC(=O)C1CCN(C(=O)NOCC(=O)O)CC1.
What is the InChIKey of 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid?
The InChIKey is BFLMYEUIVDATDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-11-9(16)7-2-4-13(5-3-7)10(17)12-18-6-8(14)15/h7H,2-6H2,1H3,(H,11,16)(H,12,17)(H,14,15).
What are the key properties of 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid?
2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid has a molecular weight of 259.26 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]oxyacetic acid is sourced from PubChem (CID 113498302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).