methyl (3R)-2-amino-3-methoxybutanoate

C6H13NO3 — CID 87094409

IUPACmethyl (3R)-2-amino-3-methoxybutanoate
SMILESCOC(=O)C(N)[C@@H](C)OC
InChIInChI=1S/C6H13NO3/c1-4(9-2)5(7)6(8)10-3/h4-5H,7H2,1-3H3/t4-,5?/m1/s1
InChIKeyZGSFKAVIRXLMRI-CNZKWPKMSA-N
MW147.17 g/mol
LogP-0.48
Rot. Bonds3

About methyl (3R)-2-amino-3-methoxybutanoate

methyl (3R)-2-amino-3-methoxybutanoate (PubChem CID 87094409) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is methyl (3R)-2-amino-3-methoxybutanoate.

Molecular Properties

Compound Namemethyl (3R)-2-amino-3-methoxybutanoate
PubChem CID87094409
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namemethyl (3R)-2-amino-3-methoxybutanoate
SMILESCOC(=O)C(N)[C@@H](C)OC
InChIInChI=1S/C6H13NO3/c1-4(9-2)5(7)6(8)10-3/h4-5H,7H2,1-3H3/t4-,5?/m1/s1
InChIKeyZGSFKAVIRXLMRI-CNZKWPKMSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxypentan-2-one
CID 58914399
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
methyl 2-amino-3-(4-bromophenoxy)butanoate
CID 86263225
methyl 2-aminopropanoate
CID 159707893
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
isocyanic acid;methyl (2S,3R)-3-acetyloxy-2-aminobutanoate
CID 88642977
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2R)-2-amino-3-fluoro-4-methylpentanoate
CID 131230035
methyl 2-methoxypropanoate;hydrochloride
CID 174449160

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2-amino-3-methoxybutanoate?
The IUPAC name of methyl (3R)-2-amino-3-methoxybutanoate (CID 87094409) is methyl (3R)-2-amino-3-methoxybutanoate.
What is the SMILES notation for methyl (3R)-2-amino-3-methoxybutanoate?
The canonical SMILES for methyl (3R)-2-amino-3-methoxybutanoate is COC(=O)C(N)[C@@H](C)OC.
What is the InChIKey of methyl (3R)-2-amino-3-methoxybutanoate?
The InChIKey is ZGSFKAVIRXLMRI-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(9-2)5(7)6(8)10-3/h4-5H,7H2,1-3H3/t4-,5?/m1/s1.
What are the key properties of methyl (3R)-2-amino-3-methoxybutanoate?
methyl (3R)-2-amino-3-methoxybutanoate has a molecular weight of 147.17 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2-amino-3-methoxybutanoate is sourced from PubChem (CID 87094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).