2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid

C10H17NO2 — CID 142879958

IUPAC2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC[C@]1(CC(=O)O)C[C@H]2CCC[C@@H]21
InChIInChI=1S/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10-/m1/s1
InChIKeyJXSBZOVCVUSLIO-KHQFGBGNSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds3

About 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid

2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid (PubChem CID 142879958) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
PubChem CID142879958
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC[C@]1(CC(=O)O)C[C@H]2CCC[C@@H]21
InChIInChI=1S/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10-/m1/s1
InChIKeyJXSBZOVCVUSLIO-KHQFGBGNSA-N
XLogP1.23
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,5S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10330007
2-[(1S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 89366528
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 142181198
2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10242263
2-[(1S,7S,8R)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10036063
2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
CID 145337620
2-[(1R,5R,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10255676
2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283647
2-[(1R,3R,5R,6S)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283555
2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 178190998
2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129304310
2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 18185814

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
The IUPAC name of 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid (CID 142879958) is 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid.
What is the SMILES notation for 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
The canonical SMILES for 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid is NC[C@]1(CC(=O)O)C[C@H]2CCC[C@@H]21.
What is the InChIKey of 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
The InChIKey is JXSBZOVCVUSLIO-KHQFGBGNSA-N. The full InChI is InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10-/m1/s1.
What are the key properties of 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid?
2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid is sourced from PubChem (CID 142879958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).