(9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid

C11H13NO2 — CID 140602798

IUPAC(9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid
SMILESN[C@@H]1C2C3C4C5C2C5C(C43)[C@@H]1C(=O)O
InChIInChI=1S/C11H13NO2/c12-10-8-5-1-2-4(6(2)8)7(3(1)5)9(10)11(13)14/h1-10H,12H2,(H,13,14)/t1?,2?,3?,4?,5?,6?,7?,8?,9-,10+/m0/s1
InChIKeyWEZHKIVFGLBYAU-ANUFGRDGSA-N
MW191.23 g/mol
LogP0.01
Rot. Bonds1

About (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid

(9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid (PubChem CID 140602798) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid.

Molecular Properties

Compound Name(9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid
PubChem CID140602798
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid
SMILESN[C@@H]1C2C3C4C5C2C5C(C43)[C@@H]1C(=O)O
InChIInChI=1S/C11H13NO2/c12-10-8-5-1-2-4(6(2)8)7(3(1)5)9(10)11(13)14/h1-10H,12H2,(H,13,14)/t1?,2?,3?,4?,5?,6?,7?,8?,9-,10+/m0/s1
InChIKeyWEZHKIVFGLBYAU-ANUFGRDGSA-N
XLogP0.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,6R,7S,9R,10S)-pentacyclo[4.4.0.02,5.03,8.04,7]decane-9,10-dicarboxylic acid
CID 98126501
(1S,4R,5S,6R,7R,8R,9R,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodec-11-ene-5,6-dicarboxylic acid
CID 98556567
(1R,2S,5S,6R)-2-aminobicyclo[3.1.0]hexane-6-carboxylic acid
CID 170915271
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 43865924
(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 67196901
(2S,3R)-3-amino-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid;hydrochloride
CID 171689587
(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid
CID 84650187
(1R,4R,6S,9S)-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene-5,12-dicarboxylic acid
CID 98164101
(1R,2S,5S)-2-amino-5-hydroxycyclopentane-1-carboxylic acid
CID 11321017
(1R,5S)-3-aminobicyclo[3.2.1]octane-8-carboxylic acid
CID 162343969
2,4-dimethylcyclobutane-1,3-dicarboxylic acid
CID 123455238

Frequently Asked Questions

What is the IUPAC name of (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid?
The IUPAC name of (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid (CID 140602798) is (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid.
What is the SMILES notation for (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid?
The canonical SMILES for (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid is N[C@@H]1C2C3C4C5C2C5C(C43)[C@@H]1C(=O)O.
What is the InChIKey of (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid?
The InChIKey is WEZHKIVFGLBYAU-ANUFGRDGSA-N. The full InChI is InChI=1S/C11H13NO2/c12-10-8-5-1-2-4(6(2)8)7(3(1)5)9(10)11(13)14/h1-10H,12H2,(H,13,14)/t1?,2?,3?,4?,5?,6?,7?,8?,9-,10+/m0/s1.
What are the key properties of (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid?
(9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10R)-10-aminopentacyclo[4.4.0.02,4.03,8.05,7]decane-9-carboxylic acid is sourced from PubChem (CID 140602798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).