methyl (2R)-2-acetamidobutanoate

C7H13NO3 — CID 10877403

IUPACmethyl (2R)-2-acetamidobutanoate
SMILESCC[C@@H](NC(C)=O)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-6(7(10)11-3)8-5(2)9/h6H,4H2,1-3H3,(H,8,9)/t6-/m1/s1
InChIKeyRAAFAGLCNGVWSU-ZCFIWIBFSA-N
MW159.18 g/mol
LogP0.07
Rot. Bonds3

About methyl (2R)-2-acetamidobutanoate

methyl (2R)-2-acetamidobutanoate (PubChem CID 10877403) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (2R)-2-acetamidobutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-acetamidobutanoate
PubChem CID10877403
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (2R)-2-acetamidobutanoate
SMILESCC[C@@H](NC(C)=O)C(=O)OC
InChIInChI=1S/C7H13NO3/c1-4-6(7(10)11-3)8-5(2)9/h6H,4H2,1-3H3,(H,8,9)/t6-/m1/s1
InChIKeyRAAFAGLCNGVWSU-ZCFIWIBFSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyryl-L-homoserine lactone
CID 10130163
Methyl 2-acetamidoacetate
CID 517966
N-(2-oxooxolan-3-yl)acetamide
CID 325257
2-(Acetylamino)butanoic acid
CID 306107
Pai-2
CID 443433
methyl N-acetylvalinate
CID 301593
Methyl (propionylamino)acetate
CID 533879
Isobutyrylglycine, methyl ester
CID 4467317
Methyl N-acetyl-L-valinate
CID 638154
(S)-Methyl 2-acetamidopropanoate
CID 6951030
Methyl 2-((butan-2-yl)amino)acetate
CID 43177489
L-Aspartic acid, N-acetyl-, dimethyl ester
CID 13818106

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-acetamidobutanoate?
The IUPAC name of methyl (2R)-2-acetamidobutanoate (CID 10877403) is methyl (2R)-2-acetamidobutanoate.
What is the SMILES notation for methyl (2R)-2-acetamidobutanoate?
The canonical SMILES for methyl (2R)-2-acetamidobutanoate is CC[C@@H](NC(C)=O)C(=O)OC.
What is the InChIKey of methyl (2R)-2-acetamidobutanoate?
The InChIKey is RAAFAGLCNGVWSU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-6(7(10)11-3)8-5(2)9/h6H,4H2,1-3H3,(H,8,9)/t6-/m1/s1.
What are the key properties of methyl (2R)-2-acetamidobutanoate?
methyl (2R)-2-acetamidobutanoate has a molecular weight of 159.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-acetamidobutanoate is sourced from PubChem (CID 10877403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).