2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid

C12H21NO2 — CID 10242263

IUPAC2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
SMILESNC[C@]1(CC(=O)O)C[C@@H]2CCCCC[C@@H]21
InChIInChI=1S/C12H21NO2/c13-8-12(7-11(14)15)6-9-4-2-1-3-5-10(9)12/h9-10H,1-8,13H2,(H,14,15)/t9-,10-,12+/m0/s1
InChIKeyCBDIXAZIJVPJBK-JBLDHEPKSA-N
MW211.30 g/mol
LogP2.01
Rot. Bonds3

About 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid

2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid (PubChem CID 10242263) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
PubChem CID10242263
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
SMILESNC[C@]1(CC(=O)O)C[C@@H]2CCCCC[C@@H]21
InChIInChI=1S/C12H21NO2/c13-8-12(7-11(14)15)6-9-4-2-1-3-5-10(9)12/h9-10H,1-8,13H2,(H,14,15)/t9-,10-,12+/m0/s1
InChIKeyCBDIXAZIJVPJBK-JBLDHEPKSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid with MolForge

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Related Compounds

(+/-)-2-((6S)-6-(aminomethyl)bicyclo[3.2.0]heptan-6-yl)acetic acid
CID 9964268
[(1R,5R,6S)-6-(Aminomethyl)bicyclo[3.2.0]hept-6-yl]acetic acid
CID 10219707
cis-2-((1R,5S)-3-(aminomethyl)bicyclo[3.2.0]heptan-3-yl)acetic acid
CID 10313401
(+)-2-((1S,5S,6R)-6-(aminomethyl)bicyclo[3.2.0]heptan-6-yl)acetic acid
CID 10330007
2-[(7S)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 46225325
(+/-)-2-((6R)-6-(aminomethyl)bicyclo[3.2.0]heptan-6-yl)acetic acid
CID 9920558
2-[3-(Aminomethyl)-3-bicyclo[3.2.0]heptanyl]acetic acid
CID 10313402
2-[(7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 46225326
2-(1-(Aminomethyl)-3-tert-butylcyclopentyl)acetic acid
CID 9834344
1-(Aminomethyl)cycloheptaneacetic acid
CID 6454647
2-((1R,5R,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]heptan-6-yl)acetic acid
CID 129304447
2-[(1S,3S,5R)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283649

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid?
The IUPAC name of 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid (CID 10242263) is 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid.
What is the SMILES notation for 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid?
The canonical SMILES for 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid is NC[C@]1(CC(=O)O)C[C@@H]2CCCCC[C@@H]21.
What is the InChIKey of 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid?
The InChIKey is CBDIXAZIJVPJBK-JBLDHEPKSA-N. The full InChI is InChI=1S/C12H21NO2/c13-8-12(7-11(14)15)6-9-4-2-1-3-5-10(9)12/h9-10H,1-8,13H2,(H,14,15)/t9-,10-,12+/m0/s1.
What are the key properties of 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid?
2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid has a molecular weight of 211.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid is sourced from PubChem (CID 10242263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).