methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate

C10H17NO2 — CID 156541904

IUPACmethyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate
SMILESCOC(=O)C(C)C1[C@H]2CC(N)C[C@@H]12
InChIInChI=1S/C10H17NO2/c1-5(10(12)13-2)9-7-3-6(11)4-8(7)9/h5-9H,3-4,11H2,1-2H3/t5?,6?,7-,8+,9?
InChIKeyILJIBOGDFIAPEA-QGOMGPROSA-N
MW183.25 g/mol
LogP0.78
Rot. Bonds2

About methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate

methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate (PubChem CID 156541904) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate
PubChem CID156541904
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate
SMILESCOC(=O)C(C)C1[C@H]2CC(N)C[C@@H]12
InChIInChI=1S/C10H17NO2/c1-5(10(12)13-2)9-7-3-6(11)4-8(7)9/h5-9H,3-4,11H2,1-2H3/t5?,6?,7-,8+,9?
InChIKeyILJIBOGDFIAPEA-QGOMGPROSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(4-aminocyclohexyl)acetate
CID 3573480
Methyl 6-aminospiro(2.5)octane-1-carboxylate hydrochloride
CID 132353806
N-(6-methoxycarbonylethyl)cyclohexylamine
CID 129783493
Methyl 6-aminospiro[2.5]octane-1-carboxylate
CID 84659210
rac-ethyl 3-[(1R,3R)-3-aminocyclopentyl]propanoate
CID 155821435
[4-(2-Ethoxy-2-oxoethyl)cyclohexyl]azanium
CID 3573479
[4-(2-Methoxy-2-oxoethyl)cyclohexyl]azanium
CID 4190458
Methyl 2-(4-aminocyclohexyl)acetate
CID 4190459
3-(4-Amino-cyclohexyl)-propionic acid methyl ester
CID 10867040
Methyl 2-(4-aminocyclohexyl)acetate hydrochloride
CID 12603944
Ethyl 3-(4-aminocyclohexyl)propanoate
CID 12614160
Methyl 3-(cis-4-aminocyclohexyl)propanoate hydrochloride
CID 18943608

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate?
The IUPAC name of methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate (CID 156541904) is methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate.
What is the SMILES notation for methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate?
The canonical SMILES for methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate is COC(=O)C(C)C1[C@H]2CC(N)C[C@@H]12.
What is the InChIKey of methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate?
The InChIKey is ILJIBOGDFIAPEA-QGOMGPROSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5(10(12)13-2)9-7-3-6(11)4-8(7)9/h5-9H,3-4,11H2,1-2H3/t5?,6?,7-,8+,9?.
What are the key properties of methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate?
methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate has a molecular weight of 183.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,5R)-3-amino-6-bicyclo[3.1.0]hexanyl]propanoate is sourced from PubChem (CID 156541904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).