3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid

C15H20N2O5 — CID 175849779

IUPAC3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC(Oc2cccnc2C(=O)O)C1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-7-10(8-9)21-11-5-4-6-16-12(11)13(18)19/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJNCHVMHCZOTAGL-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.21
Rot. Bonds4

About 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid

3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid (PubChem CID 175849779) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
PubChem CID175849779
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC(Oc2cccnc2C(=O)O)C1
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-7-10(8-9)21-11-5-4-6-16-12(11)13(18)19/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJNCHVMHCZOTAGL-UHFFFAOYSA-N
XLogP2.21
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[3-[(5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl N-(3-pyrimidin-2-yloxycyclobutyl)carbamate;3-pyrimidin-2-yloxycyclobutan-1-amine
CID 159693420
tert-butyl N-[3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]cyclobutyl]carbamate
CID 153356613
tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate
CID 170602428
3-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxypyridine-2-carboxylic acid
CID 61380391
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 58548593
6-[4-[2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyphenyl]propan-2-yl]phenoxy]pyridine-2-carboxylic acid
CID 167437067
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid?
The IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid (CID 175849779) is 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid is CC(C)(C)OC(=O)NC1CC(Oc2cccnc2C(=O)O)C1.
What is the InChIKey of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid?
The InChIKey is JNCHVMHCZOTAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-7-10(8-9)21-11-5-4-6-16-12(11)13(18)19/h4-6,9-10H,7-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid?
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 175849779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).