2-azaspiro[4.4]nonan-4-ylcarbamic acid

C9H16N2O2 — CID 118173842

IUPAC2-azaspiro[4.4]nonan-4-ylcarbamic acid
SMILESO=C(O)NC1CNCC12CCCC2
InChIInChI=1S/C9H16N2O2/c12-8(13)11-7-5-10-6-9(7)3-1-2-4-9/h7,10-11H,1-6H2,(H,12,13)
InChIKeyRSHOZMLHDUWZNY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.79
Rot. Bonds1

About 2-azaspiro[4.4]nonan-4-ylcarbamic acid

2-azaspiro[4.4]nonan-4-ylcarbamic acid (PubChem CID 118173842) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonan-4-ylcarbamic acid.

Molecular Properties

Compound Name2-azaspiro[4.4]nonan-4-ylcarbamic acid
PubChem CID118173842
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-azaspiro[4.4]nonan-4-ylcarbamic acid
SMILESO=C(O)NC1CNCC12CCCC2
InChIInChI=1S/C9H16N2O2/c12-8(13)11-7-5-10-6-9(7)3-1-2-4-9/h7,10-11H,1-6H2,(H,12,13)
InChIKeyRSHOZMLHDUWZNY-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
CID 146268670
N-(5-azaspiro[2.4]heptan-7-yl)-2,2,2-trifluoroacetamide;hydrochloride
CID 19429317
methyl (4S)-2-azaspiro[4.4]nonane-4-carboxylate
CID 129381539
butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
CID 154382947
[(3R,4S)-4-hydroxy-4-methylazepan-3-yl]carbamic acid
CID 155145551
methyl 6-azaspiro[3.4]octane-8-carboxylate
CID 86811534
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
CID 97305493
[(3R,5S)-4-hydroxy-4,5-dimethylpiperidin-3-yl]carbamic acid
CID 90279528
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonan-4-ylcarbamic acid?
The IUPAC name of 2-azaspiro[4.4]nonan-4-ylcarbamic acid (CID 118173842) is 2-azaspiro[4.4]nonan-4-ylcarbamic acid.
What is the SMILES notation for 2-azaspiro[4.4]nonan-4-ylcarbamic acid?
The canonical SMILES for 2-azaspiro[4.4]nonan-4-ylcarbamic acid is O=C(O)NC1CNCC12CCCC2.
What is the InChIKey of 2-azaspiro[4.4]nonan-4-ylcarbamic acid?
The InChIKey is RSHOZMLHDUWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-8(13)11-7-5-10-6-9(7)3-1-2-4-9/h7,10-11H,1-6H2,(H,12,13).
What are the key properties of 2-azaspiro[4.4]nonan-4-ylcarbamic acid?
2-azaspiro[4.4]nonan-4-ylcarbamic acid has a molecular weight of 184.24 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nonan-4-ylcarbamic acid is sourced from PubChem (CID 118173842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).