tert-butyl (2S)-2-(aminomethyl)butanoate

C9H19NO2 — CID 129371399

IUPACtert-butyl (2S)-2-(aminomethyl)butanoate
SMILESCC[C@@H](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/t7-/m0/s1
InChIKeyBBYKVBSBWJNBCG-ZETCQYMHSA-N
MW173.26 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl (2S)-2-(aminomethyl)butanoate

tert-butyl (2S)-2-(aminomethyl)butanoate (PubChem CID 129371399) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl (2S)-2-(aminomethyl)butanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(aminomethyl)butanoate
PubChem CID129371399
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl (2S)-2-(aminomethyl)butanoate
SMILESCC[C@@H](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/t7-/m0/s1
InChIKeyBBYKVBSBWJNBCG-ZETCQYMHSA-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 2-(hydroxymethyl)butanoate
CID 87790819
tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate
CID 89058843
tert-butyl 2-(aminomethyl)-4-bromobutanoate
CID 87721894
tert-butyl 2-(aminomethyl)-5-methyloctanoate
CID 154249144
tert-butyl 2-ethylnonanoate;ethane
CID 175268802
tert-butyl 2-ethylhex-4-enoate
CID 141287366
tert-butyl (2S)-2-(aminomethyl)-3-methylsulfonyloxypropanoate
CID 96842470
tert-butyl (2R)-2-aminobutanoate
CID 13283520
2-methyl-7-[(2-methylpropan-2-yl)oxycarbonyl]nonanoic acid
CID 175591882
tert-butyl 7-amino-2-(5-aminopentyl)heptanoate
CID 140652279
tert-butyl 2-ethylnon-7-enoate
CID 141062972
2-methylpropyl 2-(aminomethyl)butanoate
CID 65220185

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(aminomethyl)butanoate?
The IUPAC name of tert-butyl (2S)-2-(aminomethyl)butanoate (CID 129371399) is tert-butyl (2S)-2-(aminomethyl)butanoate.
What is the SMILES notation for tert-butyl (2S)-2-(aminomethyl)butanoate?
The canonical SMILES for tert-butyl (2S)-2-(aminomethyl)butanoate is CC[C@@H](CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(aminomethyl)butanoate?
The InChIKey is BBYKVBSBWJNBCG-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(aminomethyl)butanoate?
tert-butyl (2S)-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 (2S)-2-(aminomethyl)butanoate is sourced from PubChem (CID 129371399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).