4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

C13H20N2O6 — CID 115535124

IUPAC4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCOC(=O)C1CCCCN1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H20N2O6/c1-20-12(18)10-4-2-3-5-15(10)13(19)14-9-7-21-6-8(9)11(16)17/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyXPCGMTGZCQACLP-UHFFFAOYSA-N
MW300.31 g/mol
LogP-0.18
Rot. Bonds3

About 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 115535124) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID115535124
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCOC(=O)C1CCCCN1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H20N2O6/c1-20-12(18)10-4-2-3-5-15(10)13(19)14-9-7-21-6-8(9)11(16)17/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyXPCGMTGZCQACLP-UHFFFAOYSA-N
XLogP-0.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66238964
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535092
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 102727427
methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 66266602
4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239177
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238773
4-[(3-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240354
4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239386

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 115535124) is 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is COC(=O)C1CCCCN1C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XPCGMTGZCQACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-20-12(18)10-4-2-3-5-15(10)13(19)14-9-7-21-6-8(9)11(16)17/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17).
What are the key properties of 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115535124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).