2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid

C13H22N2O5 — CID 115535126

IUPAC2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCCCC1C(=O)OC)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-13(2,11(17)18)14-12(19)15-8-6-5-7-9(15)10(16)20-3/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyDLTHFYODGOLEFW-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.98
Rot. Bonds4

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

2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 115535126) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID115535126
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCCCC1C(=O)OC)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-13(2,11(17)18)14-12(19)15-8-6-5-7-9(15)10(16)20-3/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyDLTHFYODGOLEFW-UHFFFAOYSA-N
XLogP0.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
2-[(2-ethylazepane-1-carbonyl)amino]-2-methylbutanoic acid
CID 113441850
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 79801990
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
3,3,3-trifluoro-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 79791708
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-2-methylbutanoic acid
CID 79801133
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534953
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 115535126) is 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N1CCCCC1C(=O)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is DLTHFYODGOLEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-13(2,11(17)18)14-12(19)15-8-6-5-7-9(15)10(16)20-3/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 115535126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).