2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid

C10H16FNO2 — CID 129304310

IUPAC2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC[C@]1(CC(=O)O)C[C@H]2C[C@H](F)C[C@H]21
InChIInChI=1S/C10H16FNO2/c11-7-1-6-3-10(5-12,4-9(13)14)8(6)2-7/h6-8H,1-5,12H2,(H,13,14)/t6-,7+,8-,10-/m1/s1
InChIKeyLNRLHVDFHLXPFC-IBCQBUCCSA-N
MW201.24 g/mol
LogP1.17
Rot. Bonds3

About 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid

2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid (PubChem CID 129304310) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid
PubChem CID129304310
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESNC[C@]1(CC(=O)O)C[C@H]2C[C@H](F)C[C@H]21
InChIInChI=1S/C10H16FNO2/c11-7-1-6-3-10(5-12,4-9(13)14)8(6)2-7/h6-8H,1-5,12H2,(H,13,14)/t6-,7+,8-,10-/m1/s1
InChIKeyLNRLHVDFHLXPFC-IBCQBUCCSA-N
XLogP1.17
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid with MolForge

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Related Compounds

2-[(1R,3R,5R,6S)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283555
2-[(1S,3S,5S,6R)-6-(aminomethyl)-3-(cyclobutylmethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 129283647
2-[(1S,5S,6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10330007
2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 142879958
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
ethyl 2-[3-fluoro-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetate
CID 129283586
2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
CID 145337620
2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid
CID 20598296
2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 11557357

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid?
The IUPAC name of 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid (CID 129304310) is 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid.
What is the SMILES notation for 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid?
The canonical SMILES for 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid is NC[C@]1(CC(=O)O)C[C@H]2C[C@H](F)C[C@H]21.
What is the InChIKey of 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid?
The InChIKey is LNRLHVDFHLXPFC-IBCQBUCCSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-7-1-6-3-10(5-12,4-9(13)14)8(6)2-7/h6-8H,1-5,12H2,(H,13,14)/t6-,7+,8-,10-/m1/s1.
What are the key properties of 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid?
2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid has a molecular weight of 201.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S,5R,6S)-6-(aminomethyl)-3-fluoro-6-bicyclo[3.2.0]heptanyl]acetic acid is sourced from PubChem (CID 129304310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).