tert-butyl (2R)-2-amino-4-methoxybutanoate

C9H19NO3 — CID 170904338

IUPACtert-butyl (2R)-2-amino-4-methoxybutanoate
SMILESCOCC[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7(10)5-6-12-4/h7H,5-6,10H2,1-4H3/t7-/m1/s1
InChIKeyWJLDSEGXLTUEPU-SSDOTTSWSA-N
MW189.25 g/mol
LogP0.69
Rot. Bonds4

About tert-butyl (2R)-2-amino-4-methoxybutanoate

tert-butyl (2R)-2-amino-4-methoxybutanoate (PubChem CID 170904338) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-4-methoxybutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-4-methoxybutanoate
PubChem CID170904338
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nametert-butyl (2R)-2-amino-4-methoxybutanoate
SMILESCOCC[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7(10)5-6-12-4/h7H,5-6,10H2,1-4H3/t7-/m1/s1
InChIKeyWJLDSEGXLTUEPU-SSDOTTSWSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130
tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498
tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoate
CID 21119691
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747
acetic acid;7-O-tert-butyl 1-O-methyl (2S)-2,6-diaminoheptanedioate
CID 88744154
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
tert-butyl (2S)-2-amino-5-methylhex-5-enoate
CID 155170397
tert-butyl 2-aminooctadecanoate
CID 85318598

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-4-methoxybutanoate?
The IUPAC name of tert-butyl (2R)-2-amino-4-methoxybutanoate (CID 170904338) is tert-butyl (2R)-2-amino-4-methoxybutanoate.
What is the SMILES notation for tert-butyl (2R)-2-amino-4-methoxybutanoate?
The canonical SMILES for tert-butyl (2R)-2-amino-4-methoxybutanoate is COCC[C@@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-amino-4-methoxybutanoate?
The InChIKey is WJLDSEGXLTUEPU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)13-8(11)7(10)5-6-12-4/h7H,5-6,10H2,1-4H3/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-2-amino-4-methoxybutanoate?
tert-butyl (2R)-2-amino-4-methoxybutanoate has a molecular weight of 189.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-4-methoxybutanoate is sourced from PubChem (CID 170904338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).