2-aminoacetic acid;1-methoxy-4-methylcyclohexane

C10H21NO3 — CID 170636646

IUPAC2-aminoacetic acid;1-methoxy-4-methylcyclohexane
SMILESCOC1CCC(C)CC1.NCC(=O)O
InChIInChI=1S/C8H16O.C2H5NO2/c1-7-3-5-8(9-2)6-4-7;3-1-2(4)5/h7-8H,3-6H2,1-2H3;1,3H2,(H,4,5)
InChIKeyVFLLFTZYRVFZMD-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.24
Rot. Bonds2

About 2-aminoacetic acid;1-methoxy-4-methylcyclohexane

2-aminoacetic acid;1-methoxy-4-methylcyclohexane (PubChem CID 170636646) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-aminoacetic acid;1-methoxy-4-methylcyclohexane.

Molecular Properties

Compound Name2-aminoacetic acid;1-methoxy-4-methylcyclohexane
PubChem CID170636646
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-aminoacetic acid;1-methoxy-4-methylcyclohexane
SMILESCOC1CCC(C)CC1.NCC(=O)O
InChIInChI=1S/C8H16O.C2H5NO2/c1-7-3-5-8(9-2)6-4-7;3-1-2(4)5/h7-8H,3-6H2,1-2H3;1,3H2,(H,4,5)
InChIKeyVFLLFTZYRVFZMD-UHFFFAOYSA-N
XLogP1.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoacetic acid;methylcyclopropane
CID 153395802
[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 123136286
2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530893
(4-methoxycyclohexyl)methanamine;hydrochloride
CID 66699723
diethyl 2-(4-methoxycyclohexyl)propanedioate
CID 166470124
(4-methylcyclohexyl) carbamate
CID 22083226
ethane-1,2-diol;methoxycyclopropane
CID 174681664
(4-methylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 66002585
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 115441480
1,3-dimethoxy-2-methylpropane;ethane;1-methoxy-4-methylcyclohexane
CID 143819312
3-N-(4-methoxycyclohexyl)-2-N-(4-methylcyclohexyl)butane-2,3-diimine
CID 22970189
(4-methoxycyclohexyl)methylcarbamic acid
CID 23147931

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1-methoxy-4-methylcyclohexane?
The IUPAC name of 2-aminoacetic acid;1-methoxy-4-methylcyclohexane (CID 170636646) is 2-aminoacetic acid;1-methoxy-4-methylcyclohexane.
What is the SMILES notation for 2-aminoacetic acid;1-methoxy-4-methylcyclohexane?
The canonical SMILES for 2-aminoacetic acid;1-methoxy-4-methylcyclohexane is COC1CCC(C)CC1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;1-methoxy-4-methylcyclohexane?
The InChIKey is VFLLFTZYRVFZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H5NO2/c1-7-3-5-8(9-2)6-4-7;3-1-2(4)5/h7-8H,3-6H2,1-2H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;1-methoxy-4-methylcyclohexane?
2-aminoacetic acid;1-methoxy-4-methylcyclohexane has a molecular weight of 203.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1-methoxy-4-methylcyclohexane is sourced from PubChem (CID 170636646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).