methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate

C10H17NO2 — CID 178191667

IUPACmethyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
SMILESCOC(=O)CC1(N)C[C@H]2CCC[C@H]21
InChIInChI=1S/C10H17NO2/c1-13-9(12)6-10(11)5-7-3-2-4-8(7)10/h7-8H,2-6,11H2,1H3/t7-,8-,10?/m1/s1
InChIKeyZHHUASHEHPRWBW-SZBHIRRCSA-N
MW183.25 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate

methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate (PubChem CID 178191667) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
PubChem CID178191667
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
SMILESCOC(=O)CC1(N)C[C@H]2CCC[C@H]21
InChIInChI=1S/C10H17NO2/c1-13-9(12)6-10(11)5-7-3-2-4-8(7)10/h7-8H,2-6,11H2,1H3/t7-,8-,10?/m1/s1
InChIKeyZHHUASHEHPRWBW-SZBHIRRCSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetic acid
CID 178190998
methyl 2-[(1R,5R,6R)-6-methyl-6-bicyclo[3.2.0]heptanyl]acetate
CID 67558569
methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate
CID 71193848
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
CID 79848202
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate;hydrochloride
CID 138991482
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
methyl 2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylate
CID 67076753
ethyl spiro[bicyclo[3.2.0]heptane-6,2'-cyclopropane]-1'-carboxylate
CID 67102350
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
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate
CID 106824251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate?
The IUPAC name of methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate (CID 178191667) is methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate.
What is the SMILES notation for methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate?
The canonical SMILES for methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate is COC(=O)CC1(N)C[C@H]2CCC[C@H]21.
What is the InChIKey of methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate?
The InChIKey is ZHHUASHEHPRWBW-SZBHIRRCSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-9(12)6-10(11)5-7-3-2-4-8(7)10/h7-8H,2-6,11H2,1H3/t7-,8-,10?/m1/s1.
What are the key properties of methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate?
methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate has a molecular weight of 183.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate is sourced from PubChem (CID 178191667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).