[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid

C15H18N2O4 — CID 130229905

IUPAC[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid
SMILESNC(=O)c1ccccc1OC1CC2(CC(NC(=O)O)C2)C1
InChIInChI=1S/C15H18N2O4/c16-13(18)11-3-1-2-4-12(11)21-10-7-15(8-10)5-9(6-15)17-14(19)20/h1-4,9-10,17H,5-8H2,(H2,16,18)(H,19,20)
InChIKeyLUPJXIQJVCDPKA-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.74
Rot. Bonds4

About [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid

[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid (PubChem CID 130229905) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid
PubChem CID130229905
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid
SMILESNC(=O)c1ccccc1OC1CC2(CC(NC(=O)O)C2)C1
InChIInChI=1S/C15H18N2O4/c16-13(18)11-3-1-2-4-12(11)21-10-7-15(8-10)5-9(6-15)17-14(19)20/h1-4,9-10,17H,5-8H2,(H2,16,18)(H,19,20)
InChIKeyLUPJXIQJVCDPKA-UHFFFAOYSA-N
XLogP1.74
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-1-methylindazole-3-carboxamide
CID 130229717
2-(oxolan-3-yloxy)benzamide
CID 68643948
[2-(2-cyano-6-methoxyphenoxy)spiro[3.3]heptan-6-yl]carbamic acid
CID 137406249
2-(oxetan-2-yloxy)benzamide
CID 172814860
(2-carbamoylphenoxy)carbamic acid
CID 174929401
4-(6-aminospiro[3.3]heptan-2-yl)oxypyridine-3-carboxamide
CID 137406172
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
(4-nitrophenyl) N-[4-(2-carbamoylphenoxy)cyclohexyl]carbamate
CID 137413316
2-(cyclopropylamino)benzamide
CID 119089293
[2-(5-bromo-2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]-tert-butylcarbamic acid
CID 172683614
2-(2-cyanocycloheptyl)oxybenzamide
CID 43292463

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid?
The IUPAC name of [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid (CID 130229905) is [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid.
What is the SMILES notation for [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid?
The canonical SMILES for [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid is NC(=O)c1ccccc1OC1CC2(CC(NC(=O)O)C2)C1.
What is the InChIKey of [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid?
The InChIKey is LUPJXIQJVCDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-13(18)11-3-1-2-4-12(11)21-10-7-15(8-10)5-9(6-15)17-14(19)20/h1-4,9-10,17H,5-8H2,(H2,16,18)(H,19,20).
What are the key properties of [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid?
[2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid has a molecular weight of 290.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylphenoxy)spiro[3.3]heptan-6-yl]carbamic acid is sourced from PubChem (CID 130229905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).