methyl 2-(1-amino-3-methylcyclohexyl)acetate

C10H19NO2 — CID 79848601

IUPACmethyl 2-(1-amino-3-methylcyclohexyl)acetate
SMILESCOC(=O)CC1(N)CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-10(11,6-8)7-9(12)13-2/h8H,3-7,11H2,1-2H3
InChIKeyQGOFLRZQMXYIEA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds2

About methyl 2-(1-amino-3-methylcyclohexyl)acetate

methyl 2-(1-amino-3-methylcyclohexyl)acetate (PubChem CID 79848601) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(1-amino-3-methylcyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-amino-3-methylcyclohexyl)acetate
PubChem CID79848601
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(1-amino-3-methylcyclohexyl)acetate
SMILESCOC(=O)CC1(N)CCCC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-10(11,6-8)7-9(12)13-2/h8H,3-7,11H2,1-2H3
InChIKeyQGOFLRZQMXYIEA-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

2-(1-amino-3-methylcyclohexyl)acetamide
CID 165483573
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018
trans-methyl (1S,3R)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311019
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
methyl 2-[3-methyl-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]cyclohexyl]acetate
CID 22124266
1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 79853770
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114990677
2-(1-amino-3-methoxycyclohexyl)acetic acid
CID 106874447

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-amino-3-methylcyclohexyl)acetate?
The IUPAC name of methyl 2-(1-amino-3-methylcyclohexyl)acetate (CID 79848601) is methyl 2-(1-amino-3-methylcyclohexyl)acetate.
What is the SMILES notation for methyl 2-(1-amino-3-methylcyclohexyl)acetate?
The canonical SMILES for methyl 2-(1-amino-3-methylcyclohexyl)acetate is COC(=O)CC1(N)CCCC(C)C1.
What is the InChIKey of methyl 2-(1-amino-3-methylcyclohexyl)acetate?
The InChIKey is QGOFLRZQMXYIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-3-5-10(11,6-8)7-9(12)13-2/h8H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-(1-amino-3-methylcyclohexyl)acetate?
methyl 2-(1-amino-3-methylcyclohexyl)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-amino-3-methylcyclohexyl)acetate is sourced from PubChem (CID 79848601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).