methyl 1-amino-2-methoxycyclohexane-1-carboxylate

C9H17NO3 — CID 106872967

IUPACmethyl 1-amino-2-methoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1OC
InChIInChI=1S/C9H17NO3/c1-12-7-5-3-4-6-9(7,10)8(11)13-2/h7H,3-6,10H2,1-2H3
InChIKeyKSQOFHBOFXUKLF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.45
Rot. Bonds2

About methyl 1-amino-2-methoxycyclohexane-1-carboxylate

methyl 1-amino-2-methoxycyclohexane-1-carboxylate (PubChem CID 106872967) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 1-amino-2-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2-methoxycyclohexane-1-carboxylate
PubChem CID106872967
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 1-amino-2-methoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCCC1OC
InChIInChI=1S/C9H17NO3/c1-12-7-5-3-4-6-9(7,10)8(11)13-2/h7H,3-6,10H2,1-2H3
InChIKeyKSQOFHBOFXUKLF-UHFFFAOYSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-amino-2-methoxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2R)-1-amino-2-methoxycyclopentane-1-carboxylic acid
CID 102073305
2-methoxycyclohexane-1,1-diamine
CID 22418278
cis-methyl (1S,2S)-1,2-dimethoxycyclopentane-1-carboxylate
CID 68728052
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665
1-(cyclopropylamino)-2-methoxycyclohexane-1-carboxamide
CID 106872901
methyl (1R)-1-amino-3-methylcycloheptane-1-carboxylate
CID 176940576
methyl 1-amino-2-(2-phenylethyl)cyclohexane-1-carboxylate
CID 67920649
methyl 2-[1-(aminomethyl)-2-methoxycyclohexyl]acetate
CID 106874714
trans-methyl (1S,2R)-1-amino-2-propan-2-ylcyclobutane-1-carboxylate
CID 129418531
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
methyl 2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylate
CID 67076753

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2-methoxycyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-2-methoxycyclohexane-1-carboxylate (CID 106872967) is methyl 1-amino-2-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2-methoxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2-methoxycyclohexane-1-carboxylate is COC(=O)C1(N)CCCCC1OC.
What is the InChIKey of methyl 1-amino-2-methoxycyclohexane-1-carboxylate?
The InChIKey is KSQOFHBOFXUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-7-5-3-4-6-9(7,10)8(11)13-2/h7H,3-6,10H2,1-2H3.
What are the key properties of methyl 1-amino-2-methoxycyclohexane-1-carboxylate?
methyl 1-amino-2-methoxycyclohexane-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 106872967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).