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

C10H16N2O6 — CID 113498394

IUPAC2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
SMILESCOC(=O)C1CCCN(C(=O)NOCC(=O)O)C1
InChIInChI=1S/C10H16N2O6/c1-17-9(15)7-3-2-4-12(5-7)10(16)11-18-6-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14)
InChIKeyQQJSHFSYJWIUHF-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.40
Rot. Bonds4

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

2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid (PubChem CID 113498394) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
PubChem CID113498394
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid
SMILESCOC(=O)C1CCCN(C(=O)NOCC(=O)O)C1
InChIInChI=1S/C10H16N2O6/c1-17-9(15)7-3-2-4-12(5-7)10(16)11-18-6-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14)
InChIKeyQQJSHFSYJWIUHF-UHFFFAOYSA-N
XLogP-0.40
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxycarbonylpiperidin-1-yl)-3-oxopropanoic acid
CID 115538673
4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534957
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)oxyacetic acid
CID 113498355
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
4-(3-methoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 110465779
2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
3-hydroxy-4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 115535255
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid?
The IUPAC name of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid (CID 113498394) is 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid is COC(=O)C1CCCN(C(=O)NOCC(=O)O)C1.
What is the InChIKey of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid?
The InChIKey is QQJSHFSYJWIUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-17-9(15)7-3-2-4-12(5-7)10(16)11-18-6-8(13)14/h7H,2-6H2,1H3,(H,11,16)(H,13,14).
What are the key properties of 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid?
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid has a molecular weight of 260.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]oxyacetic acid is sourced from PubChem (CID 113498394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).