methyl (2S,3S)-3-amino-2-methylbutanoate

C6H13NO2 — CID 55285448

IUPACmethyl (2S,3S)-3-amino-2-methylbutanoate
SMILESCOC(=O)[C@@H](C)[C@H](C)N
InChIInChI=1S/C6H13NO2/c1-4(5(2)7)6(8)9-3/h4-5H,7H2,1-3H3/t4-,5-/m0/s1
InChIKeyRNMOPCBIOYTHPD-WHFBIAKZSA-N
MW131.17 g/mol
LogP0.14
Rot. Bonds2

About methyl (2S,3S)-3-amino-2-methylbutanoate

methyl (2S,3S)-3-amino-2-methylbutanoate (PubChem CID 55285448) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is methyl (2S,3S)-3-amino-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-amino-2-methylbutanoate
PubChem CID55285448
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Namemethyl (2S,3S)-3-amino-2-methylbutanoate
SMILESCOC(=O)[C@@H](C)[C@H](C)N
InChIInChI=1S/C6H13NO2/c1-4(5(2)7)6(8)9-3/h4-5H,7H2,1-3H3/t4-,5-/m0/s1
InChIKeyRNMOPCBIOYTHPD-WHFBIAKZSA-N
XLogP0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-aminopropanoate
CID 159707893
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
(2S,3S)-4-methoxy-2,3-dimethyl-4-oxobutanoic acid
CID 92983233
1-O-(2-hydroxypropyl) 4-O-methyl 2,3-dimethylbutanedioate
CID 155641970
methyl (2S,3R)-4-chloro-2,3-dimethyl-4-oxobutanoate
CID 131844171
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
2-hydroxy-4-methoxy-3-methyl-4-oxobutanoic acid
CID 66039301
methyl 2-methyl-3-trimethylstannylbutanoate
CID 13445997
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
CID 120500179
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-amino-2-methylbutanoate?
The IUPAC name of methyl (2S,3S)-3-amino-2-methylbutanoate (CID 55285448) is methyl (2S,3S)-3-amino-2-methylbutanoate.
What is the SMILES notation for methyl (2S,3S)-3-amino-2-methylbutanoate?
The canonical SMILES for methyl (2S,3S)-3-amino-2-methylbutanoate is COC(=O)[C@@H](C)[C@H](C)N.
What is the InChIKey of methyl (2S,3S)-3-amino-2-methylbutanoate?
The InChIKey is RNMOPCBIOYTHPD-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(5(2)7)6(8)9-3/h4-5H,7H2,1-3H3/t4-,5-/m0/s1.
What are the key properties of methyl (2S,3S)-3-amino-2-methylbutanoate?
methyl (2S,3S)-3-amino-2-methylbutanoate has a molecular weight of 131.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-amino-2-methylbutanoate is sourced from PubChem (CID 55285448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).