2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid

C11H21NO3 — CID 106487161

IUPAC2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid
SMILESCC1(C)CCC(CC(C)(CN)C(=O)O)O1
InChIInChI=1S/C11H21NO3/c1-10(2)5-4-8(15-10)6-11(3,7-12)9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyLWZJLOLZUITWEZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.38
Rot. Bonds4

About 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid

2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid (PubChem CID 106487161) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid
PubChem CID106487161
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid
SMILESCC1(C)CCC(CC(C)(CN)C(=O)O)O1
InChIInChI=1S/C11H21NO3/c1-10(2)5-4-8(15-10)6-11(3,7-12)9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyLWZJLOLZUITWEZ-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

2-[1-(Aminomethyl)-2-methoxycyclohexyl]acetic acid
CID 44297544
4-(Aminomethyl)-2-ethyloxane-4-carboxylic acid
CID 82655706
Tert-butyl 1-(aminomethyl)-2-(hydroxymethyl)cyclohexane-1-carboxylate
CID 142653723
7-(4-Amino-3,3-dimethylbutoxy)-7-methyloctanoic acid
CID 163526340
1-(Aminomethyl)-3-hydroxycycloheptane-1-carboxylic acid
CID 163875630
2-[(1S,2S)-1-(aminomethyl)-2-methoxycyclohexyl]acetic acid
CID 10633648
[(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium
CID 23238904
Methyl 2-(aminomethyl)-3-(5-methyloxolan-2-yl)propanoate
CID 82837617
Methyl 2-(aminomethyl)-3-(oxolan-2-yl)propanoate
CID 82837656
2-(Aminomethyl)-3-(oxolan-2-yl)propanoic acid
CID 82837657
2-(Aminomethyl)-3-(5-methyloxolan-2-yl)propanoic acid
CID 82837733
Ethyl 2-(aminomethyl)-3-(oxolan-2-yl)propanoate
CID 82837776

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid (CID 106487161) is 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid is CC1(C)CCC(CC(C)(CN)C(=O)O)O1.
What is the InChIKey of 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid?
The InChIKey is LWZJLOLZUITWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2)5-4-8(15-10)6-11(3,7-12)9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid?
2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic 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-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 106487161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).