2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid

C9H16N2O4 — CID 106740682

IUPAC2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid
SMILESCC1CC(C(=O)NOCC(=O)O)CCN1
InChIInChI=1S/C9H16N2O4/c1-6-4-7(2-3-10-6)9(14)11-15-5-8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyCDHGUMOBYXDINB-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.49
Rot. Bonds4

About 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid

2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid (PubChem CID 106740682) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid
PubChem CID106740682
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid
SMILESCC1CC(C(=O)NOCC(=O)O)CCN1
InChIInChI=1S/C9H16N2O4/c1-6-4-7(2-3-10-6)9(14)11-15-5-8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyCDHGUMOBYXDINB-UHFFFAOYSA-N
XLogP-0.49
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.49
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

N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633653
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-cyclohexyl-2-methylpiperidine-4-carboxamide
CID 106738484

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid (CID 106740682) is 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid is CC1CC(C(=O)NOCC(=O)O)CCN1.
What is the InChIKey of 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid?
The InChIKey is CDHGUMOBYXDINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6-4-7(2-3-10-6)9(14)11-15-5-8(12)13/h6-7,10H,2-5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid?
2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidine-4-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 106740682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).