(4-aminocuban-1-yl) acetate;hydrochloride

C10H12ClNO2 — CID 174876114

IUPAC(4-aminocuban-1-yl) acetate;hydrochloride
SMILESCC(=O)OC12C3C4C1C1C2C3C41N.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-2(12)13-10-6-3-7(10)5-8(10)4(6)9(3,5)11;/h3-8H,11H2,1H3;1H
InChIKeyNHQQKMIAPJCJES-UHFFFAOYSA-N
MW213.66 g/mol
LogP0.17
Rot. Bonds1

About (4-aminocuban-1-yl) acetate;hydrochloride

(4-aminocuban-1-yl) acetate;hydrochloride (PubChem CID 174876114) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (4-aminocuban-1-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(4-aminocuban-1-yl) acetate;hydrochloride
PubChem CID174876114
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(4-aminocuban-1-yl) acetate;hydrochloride
SMILESCC(=O)OC12C3C4C1C1C2C3C41N.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-2(12)13-10-6-3-7(10)5-8(10)4(6)9(3,5)11;/h3-8H,11H2,1H3;1H
InChIKeyNHQQKMIAPJCJES-UHFFFAOYSA-N
XLogP0.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorocuban-1-yl) acetate
CID 10375021
(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
[(1S,2R,3R,5R,6S,8S,9S,10R,11R)-7,7,11-tribromo-1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl] acetate
CID 99844933
[(1S,2R,3R,5R,6S,8R,9R,10S,11R)-7,7,11-tribromo-1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl] acetate
CID 2307306
(2-methylcuban-1-yl) acetate
CID 15274685
(1-amino-2-propylcyclopropyl) acetate
CID 174614626
[(1R,2S,3R,5S,6S,7S,9R,10S)-8-acetyloxy-11-oxo-8-pentacyclo[5.4.0.02,6.03,10.05,9]undecanyl] acetate
CID 124919984
(7-carbamoyl-7-bicyclo[4.1.0]heptanyl) acetate
CID 14319660
[(1S,2S,3S,5S,6S,7S,8R,9S,10R,11S)-7,11-dibromo-1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl] acetate
CID 98117310
(7,11-dibromo-1-pentacyclo[6.3.0.02,6.03,10.05,9]undecanyl) acetate
CID 3094612
acetyl acetate;hydrochloride
CID 87138027
sodium;amino acetate;hydride;hydrochloride
CID 174988291

Frequently Asked Questions

What is the IUPAC name of (4-aminocuban-1-yl) acetate;hydrochloride?
The IUPAC name of (4-aminocuban-1-yl) acetate;hydrochloride (CID 174876114) is (4-aminocuban-1-yl) acetate;hydrochloride.
What is the SMILES notation for (4-aminocuban-1-yl) acetate;hydrochloride?
The canonical SMILES for (4-aminocuban-1-yl) acetate;hydrochloride is CC(=O)OC12C3C4C1C1C2C3C41N.Cl.
What is the InChIKey of (4-aminocuban-1-yl) acetate;hydrochloride?
The InChIKey is NHQQKMIAPJCJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-2(12)13-10-6-3-7(10)5-8(10)4(6)9(3,5)11;/h3-8H,11H2,1H3;1H.
What are the key properties of (4-aminocuban-1-yl) acetate;hydrochloride?
(4-aminocuban-1-yl) acetate;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocuban-1-yl) acetate;hydrochloride is sourced from PubChem (CID 174876114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).