methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate

C10H19NO2 — CID 176940576

IUPACmethyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
SMILESCOC(=O)[C@@]1(N)CCCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-5-3-4-6-10(11,7-8)9(12)13-2/h8H,3-7,11H2,1-2H3/t8?,10-/m1/s1
InChIKeyXLCSDUIIWSJUTN-LHIURRSHSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds1

About methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate

methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate (PubChem CID 176940576) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
PubChem CID176940576
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
SMILESCOC(=O)[C@@]1(N)CCCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-5-3-4-6-10(11,7-8)9(12)13-2/h8H,3-7,11H2,1-2H3/t8?,10-/m1/s1
InChIKeyXLCSDUIIWSJUTN-LHIURRSHSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate?
The IUPAC name of methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate (CID 176940576) is methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate.
What is the SMILES notation for methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate?
The canonical SMILES for methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate is COC(=O)[C@@]1(N)CCCCC(C)C1.
What is the InChIKey of methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate?
The InChIKey is XLCSDUIIWSJUTN-LHIURRSHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-5-3-4-6-10(11,7-8)9(12)13-2/h8H,3-7,11H2,1-2H3/t8?,10-/m1/s1.
What are the key properties of methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate?
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate is sourced from PubChem (CID 176940576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).