[6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid

C11H13N3O3 — CID 70653830

IUPAC[6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccc(N2CC3(CCO3)C2)n1
InChIInChI=1S/C11H13N3O3/c15-10(16)13-8-2-1-3-9(12-8)14-6-11(7-14)4-5-17-11/h1-3H,4-7H2,(H,12,13)(H,15,16)
InChIKeyASJHRZQFPPUCOE-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.15
Rot. Bonds2

About [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid

[6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid (PubChem CID 70653830) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid
PubChem CID70653830
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name[6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cccc(N2CC3(CCO3)C2)n1
InChIInChI=1S/C11H13N3O3/c15-10(16)13-8-2-1-3-9(12-8)14-6-11(7-14)4-5-17-11/h1-3H,4-7H2,(H,12,13)(H,15,16)
InChIKeyASJHRZQFPPUCOE-UHFFFAOYSA-N
XLogP1.15
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]carbamate
CID 152095034
[5-fluoro-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]carbamic acid
CID 154942858
[5-Fluoro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]carbamic acid
CID 154942859
tert-butyl N-(5-fluoro-6-morpholin-4-yl-2-pyridinyl)carbamate
CID 167009773
N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656635
N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide
CID 126834203
(6-Ethylamino-pyridin-2-yl)-carbamic acid tert-butyl ester
CID 18771775
tert-butyl N-[6-(dimethylamino)-2-pyridinyl]carbamate
CID 54350832
tert-butyl N-[6-[ethyl(methyl)amino]-2-pyridinyl]carbamate
CID 54440042
tert-butyl N-[6-(2-methoxyethylamino)-2-pyridinyl]carbamate
CID 58796147
tert-butyl N-(6-morpholin-4-yl-2-pyridinyl)carbamate
CID 58796375
[6-(Morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid
CID 67025142

Frequently Asked Questions

What is the IUPAC name of [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid?
The IUPAC name of [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid (CID 70653830) is [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid?
The canonical SMILES for [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid is O=C(O)Nc1cccc(N2CC3(CCO3)C2)n1.
What is the InChIKey of [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid?
The InChIKey is ASJHRZQFPPUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(16)13-8-2-1-3-9(12-8)14-6-11(7-14)4-5-17-11/h1-3H,4-7H2,(H,12,13)(H,15,16).
What are the key properties of [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid?
[6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid has a molecular weight of 235.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 70653830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).