tert-butyl (2S)-3-amino-2-methoxybutanoate

C9H19NO3 — CID 141193665

IUPACtert-butyl (2S)-3-amino-2-methoxybutanoate
SMILESCO[C@H](C(=O)OC(C)(C)C)C(C)N
InChIInChI=1S/C9H19NO3/c1-6(10)7(12-5)8(11)13-9(2,3)4/h6-7H,10H2,1-5H3/t6?,7-/m0/s1
InChIKeyKIMKOYDTSWCMAA-MLWJPKLSSA-N
MW189.25 g/mol
LogP0.69
Rot. Bonds3

About tert-butyl (2S)-3-amino-2-methoxybutanoate

tert-butyl (2S)-3-amino-2-methoxybutanoate (PubChem CID 141193665) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl (2S)-3-amino-2-methoxybutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-3-amino-2-methoxybutanoate
PubChem CID141193665
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl (2S)-3-amino-2-methoxybutanoate
SMILESCO[C@H](C(=O)OC(C)(C)C)C(C)N
InChIInChI=1S/C9H19NO3/c1-6(10)7(12-5)8(11)13-9(2,3)4/h6-7H,10H2,1-5H3/t6?,7-/m0/s1
InChIKeyKIMKOYDTSWCMAA-MLWJPKLSSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-3-amino-2-methoxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150203117
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 87342926
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
CID 56776989
ditert-butyl methyl methanetricarboxylate
CID 45278404
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-amino-2-methoxybutanoate?
The IUPAC name of tert-butyl (2S)-3-amino-2-methoxybutanoate (CID 141193665) is tert-butyl (2S)-3-amino-2-methoxybutanoate.
What is the SMILES notation for tert-butyl (2S)-3-amino-2-methoxybutanoate?
The canonical SMILES for tert-butyl (2S)-3-amino-2-methoxybutanoate is CO[C@H](C(=O)OC(C)(C)C)C(C)N.
What is the InChIKey of tert-butyl (2S)-3-amino-2-methoxybutanoate?
The InChIKey is KIMKOYDTSWCMAA-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(10)7(12-5)8(11)13-9(2,3)4/h6-7H,10H2,1-5H3/t6?,7-/m0/s1.
What are the key properties of tert-butyl (2S)-3-amino-2-methoxybutanoate?
tert-butyl (2S)-3-amino-2-methoxybutanoate has a molecular weight of 189.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-amino-2-methoxybutanoate is sourced from PubChem (CID 141193665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).