2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane

C16H29NO2 — CID 145337620

IUPAC2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
SMILESCCC1CCC1.NC[C@@]1(CC(=O)O)CC2CCCC21
InChIInChI=1S/C10H17NO2.C6H12/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10;1-2-6-4-3-5-6/h7-8H,1-6,11H2,(H,12,13);6H,2-5H2,1H3/t7?,8?,10-;/m0./s1
InChIKeyDUISJYHRBNZNKF-NOXKLTGNSA-N
MW267.41 g/mol
LogP3.42
Rot. Bonds4

About 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane

2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane (PubChem CID 145337620) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane.

Molecular Properties

Compound Name2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
PubChem CID145337620
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane
SMILESCCC1CCC1.NC[C@@]1(CC(=O)O)CC2CCCC21
InChIInChI=1S/C10H17NO2.C6H12/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10;1-2-6-4-3-5-6/h7-8H,1-6,11H2,(H,12,13);6H,2-5H2,1H3/t7?,8?,10-;/m0./s1
InChIKeyDUISJYHRBNZNKF-NOXKLTGNSA-N
XLogP3.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane with MolForge

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Related Compounds

2-[(1R,5S,6S)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 142879958
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-[(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,6S)-6-(nitromethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 10255676
[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 149036718
2-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 18185814
2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 178190998

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane?
The IUPAC name of 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane (CID 145337620) is 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane.
What is the SMILES notation for 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane?
The canonical SMILES for 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane is CCC1CCC1.NC[C@@]1(CC(=O)O)CC2CCCC21.
What is the InChIKey of 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane?
The InChIKey is DUISJYHRBNZNKF-NOXKLTGNSA-N. The full InChI is InChI=1S/C10H17NO2.C6H12/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10;1-2-6-4-3-5-6/h7-8H,1-6,11H2,(H,12,13);6H,2-5H2,1H3/t7?,8?,10-;/m0./s1.
What are the key properties of 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane?
2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane has a molecular weight of 267.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-(aminomethyl)-6-bicyclo[3.2.0]heptanyl]acetic acid;ethylcyclobutane is sourced from PubChem (CID 145337620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).