2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid

C11H21NO3 — CID 164530907

IUPAC2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid
SMILESCOC(C(N)C(=O)O)C1(C)CCCCC1
InChIInChI=1S/C11H21NO3/c1-11(6-4-3-5-7-11)9(15-2)8(12)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKCHDFVRJJJMIJV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.38
Rot. Bonds4

About 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid

2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid (PubChem CID 164530907) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid
PubChem CID164530907
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid
SMILESCOC(C(N)C(=O)O)C1(C)CCCCC1
InChIInChI=1S/C11H21NO3/c1-11(6-4-3-5-7-11)9(15-2)8(12)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyKCHDFVRJJJMIJV-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-(1-methylcycloheptyl)acetate
CID 130949608
2-(1-methylcyclohexyl)propanedioic acid
CID 12673903
1-(1-methoxy-2-methylpropyl)-1-methylcyclopentane
CID 23384637
2,5-dihydroperoxy-3,4-dimethyl-5-(1-methylcyclohexyl)pentanoic acid
CID 21133604
methyl (2S)-2-amino-2-(1-methylcyclopropyl)acetate
CID 156751440
2-(1-hydroxycyclohexyl)-2-methoxyacetic acid
CID 142625258
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CID 69433180
2-cyano-2-(1-methylcyclohexyl)acetic acid
CID 12673904
methyl 2-amino-2-(1-fluorocyclohexyl)acetate
CID 13204388
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
3-(1-methylcyclohexyl)pentane-2,4-dione
CID 21339007

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid?
The IUPAC name of 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid (CID 164530907) is 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid.
What is the SMILES notation for 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid?
The canonical SMILES for 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid is COC(C(N)C(=O)O)C1(C)CCCCC1.
What is the InChIKey of 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid?
The InChIKey is KCHDFVRJJJMIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(6-4-3-5-7-11)9(15-2)8(12)10(13)14/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid?
2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-3-(1-methylcyclohexyl)propanoic acid is sourced from PubChem (CID 164530907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).