tert-butyl 2-(aminomethyl)-4-methylpentanoate

C11H23NO2 — CID 58278370

IUPACtert-butyl 2-(aminomethyl)-4-methylpentanoate
SMILESCC(C)CC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-9(7-12)10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3
InChIKeyCXGQRBFVHKDJJK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.95
Rot. Bonds4

About tert-butyl 2-(aminomethyl)-4-methylpentanoate

tert-butyl 2-(aminomethyl)-4-methylpentanoate (PubChem CID 58278370) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-4-methylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-4-methylpentanoate
PubChem CID58278370
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 2-(aminomethyl)-4-methylpentanoate
SMILESCC(C)CC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-9(7-12)10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3
InChIKeyCXGQRBFVHKDJJK-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (3R)-3-amino-5-methyl-hexanoate
CID 2733825
Methyl 2-(aminomethyl)-4-methylpentanoate hydrochloride
CID 54595216
Tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 66797588
Ethyl 2-(aminomethyl)pentanoate hydrochloride
CID 86812293
Ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
Methyl 2-(aminomethyl)-4-methylpentanoate
CID 54595217
Ethyl 2-(aminomethyl)-4-methylpentanoate hydrochloride
CID 16641204
Tert-butyl 2-(aminomethyl)butanoate
CID 65220536
Tert-butyl 3-aminopentanoate
CID 115563178
Tert-butyl 3-amino-2-cyclobutylpropanoate
CID 134690680
Methyl 2-(aminomethyl)pentanoate hydrochloride
CID 155820658
Tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate hydrochloride
CID 155822576

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-4-methylpentanoate?
The IUPAC name of tert-butyl 2-(aminomethyl)-4-methylpentanoate (CID 58278370) is tert-butyl 2-(aminomethyl)-4-methylpentanoate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-4-methylpentanoate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-4-methylpentanoate is CC(C)CC(CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(aminomethyl)-4-methylpentanoate?
The InChIKey is CXGQRBFVHKDJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)6-9(7-12)10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3.
What are the key properties of tert-butyl 2-(aminomethyl)-4-methylpentanoate?
tert-butyl 2-(aminomethyl)-4-methylpentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-4-methylpentanoate is sourced from PubChem (CID 58278370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).