3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C13H22N2O6 — CID 66172435

IUPAC3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCOC(=O)C1CCN(C(=O)NCC(C)(O)C(=O)O)CC1
InChIInChI=1S/C13H22N2O6/c1-3-21-10(16)9-4-6-15(7-5-9)12(19)14-8-13(2,20)11(17)18/h9,20H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVQEFCSJJKSZZID-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.19
Rot. Bonds5

About 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172435) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66172435
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCOC(=O)C1CCN(C(=O)NCC(C)(O)C(=O)O)CC1
InChIInChI=1S/C13H22N2O6/c1-3-21-10(16)9-4-6-15(7-5-9)12(19)14-8-13(2,20)11(17)18/h9,20H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVQEFCSJJKSZZID-UHFFFAOYSA-N
XLogP-0.19
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
CID 108865828
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
ethyl 1-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylate
CID 108914959

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66172435) is 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CCOC(=O)C1CCN(C(=O)NCC(C)(O)C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is VQEFCSJJKSZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-3-21-10(16)9-4-6-15(7-5-9)12(19)14-8-13(2,20)11(17)18/h9,20H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 302.33 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).