tert-butyl 2-(aminomethyl)butanoate

C9H19NO2 — CID 65220536

IUPACtert-butyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(6-10)8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyBBYKVBSBWJNBCG-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl 2-(aminomethyl)butanoate

tert-butyl 2-(aminomethyl)butanoate (PubChem CID 65220536) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)butanoate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)butanoate
PubChem CID65220536
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-5-7(6-10)8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKeyBBYKVBSBWJNBCG-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 4-aminobutanoate
CID 7020335
1,1-Dimethylethyl (3R)-3-aminobutanoate
CID 2733826
tert-Butyl 3-amino-2-methylpropionate
CID 14557403
Cyclopropanecarboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
CID 53407163
Tert-butyl 2-(aminomethyl)-2-ethylbutanoate
CID 54399069
Tert-butyl 2-(aminomethyl)-4-methylpentanoate
CID 58278370
Ethyl 2-(aminomethyl)-3-methylbutanoate hydrochloride
CID 71332524
tert-butyl (3S)-3-aminobutanoate hydrochloride
CID 46735263
Tert-butyl 3-aminobutanoate hydrochloride
CID 50988113
Tert-butyl 3-amino-2-methylpropanoate hydrochloride
CID 122163749
2-Tert-butoxycarbonyl aminopropylamine
CID 57264254
tert-butyl (3S)-3-aminobutanoate
CID 7021083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)butanoate?
The IUPAC name of tert-butyl 2-(aminomethyl)butanoate (CID 65220536) is tert-butyl 2-(aminomethyl)butanoate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)butanoate?
The canonical SMILES for tert-butyl 2-(aminomethyl)butanoate is CCC(CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(aminomethyl)butanoate?
The InChIKey is BBYKVBSBWJNBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7(6-10)8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3.
What are the key properties of tert-butyl 2-(aminomethyl)butanoate?
tert-butyl 2-(aminomethyl)butanoate has a molecular weight of 173.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)butanoate is sourced from PubChem (CID 65220536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).