1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid

C13H24N2O4 — CID 70832750

IUPAC1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid
SMILESCC(C)(CCCN)OC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,6-3-7-14)19-12(18)15-8-4-10(5-9-15)11(16)17/h10H,3-9,14H2,1-2H3,(H,16,17)
InChIKeyYXZCTPAPNFYQOH-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.44
Rot. Bonds5

About 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid

1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid (PubChem CID 70832750) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid
PubChem CID70832750
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid
SMILESCC(C)(CCCN)OC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,6-3-7-14)19-12(18)15-8-4-10(5-9-15)11(16)17/h10H,3-9,14H2,1-2H3,(H,16,17)
InChIKeyYXZCTPAPNFYQOH-UHFFFAOYSA-N
XLogP1.44
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
2-methylhexan-2-yl (3S)-3-(aminomethyl)pyrrolidine-1-carboxylate
CID 166848189
tert-butyl N-(2-aminoethyl)carbamate;tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-1-carboxylate;deuterio(fluoro)methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 159085548
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl 4-[2-(3-aminopropylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 165436541
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494
4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141263047
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;methoxyethane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 160695489
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
(2-methyl-4-piperidin-4-ylbutan-2-yl) piperazine-1-carboxylate
CID 162689657

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid (CID 70832750) is 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid is CC(C)(CCCN)OC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid?
The InChIKey is YXZCTPAPNFYQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,6-3-7-14)19-12(18)15-8-4-10(5-9-15)11(16)17/h10H,3-9,14H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid?
1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 70832750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).