methyl (2R)-2-acetamido-3-methylbutanoate

C8H15NO3 — CID 11008407

IUPACmethyl (2R)-2-acetamido-3-methylbutanoate
SMILESCOC(=O)[C@H](NC(C)=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)/t7-/m1/s1
InChIKeyKCHNPFJMSOGXIT-SSDOTTSWSA-N
MW173.21 g/mol
LogP0.32
Rot. Bonds3

About methyl (2R)-2-acetamido-3-methylbutanoate

methyl (2R)-2-acetamido-3-methylbutanoate (PubChem CID 11008407) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (2R)-2-acetamido-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamido-3-methylbutanoate
PubChem CID11008407
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (2R)-2-acetamido-3-methylbutanoate
SMILESCOC(=O)[C@H](NC(C)=O)C(C)C
InChIInChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)/t7-/m1/s1
InChIKeyKCHNPFJMSOGXIT-SSDOTTSWSA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-valine
CID 66789
N-acetyl-D-valine
CID 76475
N-Acetylvaline
CID 227752
AV zwitterion
CID 6992383
N-(3-Methyl-1-oxobutyl)-L-alanine
CID 129285
methyl N-acetylvalinate
CID 301593
Methyl N-isovalerylglycine
CID 533941
Isobutyrylglycine, methyl ester
CID 4467317
(2S)-2-[(2-azaniumylacetyl)amino]-3-methylbutanoate
CID 6994979
N-isovaleryl-L-homoserine lactone
CID 71627311
Methyl N-acetyl-L-valinate
CID 638154
Methyl N-acetyl-L-leucinate
CID 6950952

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamido-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-acetamido-3-methylbutanoate (CID 11008407) is methyl (2R)-2-acetamido-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-acetamido-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-acetamido-3-methylbutanoate is COC(=O)[C@H](NC(C)=O)C(C)C.
What is the InChIKey of methyl (2R)-2-acetamido-3-methylbutanoate?
The InChIKey is KCHNPFJMSOGXIT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)7(8(11)12-4)9-6(3)10/h5,7H,1-4H3,(H,9,10)/t7-/m1/s1.
What are the key properties of methyl (2R)-2-acetamido-3-methylbutanoate?
methyl (2R)-2-acetamido-3-methylbutanoate has a molecular weight of 173.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamido-3-methylbutanoate is sourced from PubChem (CID 11008407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).