methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate

C10H21NO3 — CID 106487837

IUPACmethyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
SMILESCCCOCCC(C)(CN)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-4-6-14-7-5-10(2,8-11)9(12)13-3/h4-8,11H2,1-3H3
InChIKeyAQQNAJRLXNDILK-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.94
Rot. Bonds7

About methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate

methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate (PubChem CID 106487837) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
PubChem CID106487837
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
SMILESCCCOCCC(C)(CN)C(=O)OC
InChIInChI=1S/C10H21NO3/c1-4-6-14-7-5-10(2,8-11)9(12)13-3/h4-8,11H2,1-3H3
InChIKeyAQQNAJRLXNDILK-UHFFFAOYSA-N
XLogP0.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(aminomethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 106487872
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)-4-propoxybutanoate
CID 106489904
methyl 2-amino-2-methyl-6-(2-propoxyethoxy)hexanoate
CID 63686600
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
methyl 2-(aminomethyl)-4-(2-ethoxyphenoxy)-2-methylbutanoate
CID 106487877
methyl 2-(aminomethyl)-2,6-dimethylheptanoate
CID 106487907
methyl 2-(aminomethyl)-4-butoxy-2-cyclopropylbutanoate
CID 106489481
methyl 2-(aminomethyl)-2-(3-fluorophenyl)-4-propoxybutanoate
CID 106509489
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
CID 63687075

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate (CID 106487837) is methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate is CCCOCCC(C)(CN)C(=O)OC.
What is the InChIKey of methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate?
The InChIKey is AQQNAJRLXNDILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-6-14-7-5-10(2,8-11)9(12)13-3/h4-8,11H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate?
methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate has a molecular weight of 203.28 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate is sourced from PubChem (CID 106487837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).