methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate

C10H19NO2 — CID 106489911

IUPACmethyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
SMILESCCC(CN)(CC1CC1)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-3-10(7-11,9(12)13-2)6-8-4-5-8/h8H,3-7,11H2,1-2H3
InChIKeyPZMWBIUJFGTJLZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds5

About methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate

methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate (PubChem CID 106489911) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
PubChem CID106489911
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
SMILESCCC(CN)(CC1CC1)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-3-10(7-11,9(12)13-2)6-8-4-5-8/h8H,3-7,11H2,1-2H3
InChIKeyPZMWBIUJFGTJLZ-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-2-(cyclopropylmethyl)heptanoate
CID 106489994
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propoxybutanoate
CID 106489904
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
methyl 2-(aminomethyl)-3-cyclopropyl-2-methylpropanoate
CID 106487865
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3,4-dimethylphenyl)propanoate
CID 106489996
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(1,3-thiazol-2-yl)propanoate
CID 106489927
2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-5-phenoxypentanoate
CID 106489963
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)propanoate
CID 106490015
methyl 5-amino-2,2-diethylpentanoate
CID 18784900
methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
CID 115431856
ethyl 2-(aminomethyl)-2-(cyclopropylmethoxymethyl)butanoate
CID 106931584

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate (CID 106489911) is methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate is CCC(CN)(CC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate?
The InChIKey is PZMWBIUJFGTJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-10(7-11,9(12)13-2)6-8-4-5-8/h8H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate?
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate is sourced from PubChem (CID 106489911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).