4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid

C16H28N2O5 — CID 146599300

IUPAC4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1CC(OC2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(21)17(4)11-9-13(10-11)22-12-5-7-18(8-6-12)14(19)20/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeySJHHKVNYUYSVHO-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.54
Rot. Bonds3

About 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid

4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid (PubChem CID 146599300) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid
PubChem CID146599300
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1CC(OC2CCN(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O5/c1-16(2,3)23-15(21)17(4)11-9-13(10-11)22-12-5-7-18(8-6-12)14(19)20/h11-13H,5-10H2,1-4H3,(H,19,20)
InChIKeySJHHKVNYUYSVHO-UHFFFAOYSA-N
XLogP2.54
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxyethyl]piperazine-1-carboxylic acid
CID 138695041
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
CID 138695042
tert-butyl N-[(3R)-1-(2-chloroacetyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 66566130
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 87119309
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 175871812
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl N-[(3S)-3-aminocyclopentyl]-N-methylcarbamate
CID 146670008

Frequently Asked Questions

What is the IUPAC name of 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid (CID 146599300) is 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid is CN(C(=O)OC(C)(C)C)C1CC(OC2CCN(C(=O)O)CC2)C1.
What is the InChIKey of 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid?
The InChIKey is SJHHKVNYUYSVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-16(2,3)23-15(21)17(4)11-9-13(10-11)22-12-5-7-18(8-6-12)14(19)20/h11-13H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid?
4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 146599300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).