[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate

C10H19NO3 — CID 174076582

IUPAC[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate
SMILESCC[C@@H](C)OC(=O)[C@H](C)N(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-6-7(2)14-10(13)8(3)11(5)9(4)12/h7-8H,6H2,1-5H3/t7-,8+/m1/s1
InChIKeyOXYNWWPMMOJPKH-SFYZADRCSA-N
MW201.27 g/mol
LogP1.19
Rot. Bonds4

About [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate

[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate (PubChem CID 174076582) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate
PubChem CID174076582
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate
SMILESCC[C@@H](C)OC(=O)[C@H](C)N(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-6-7(2)14-10(13)8(3)11(5)9(4)12/h7-8H,6H2,1-5H3/t7-,8+/m1/s1
InChIKeyOXYNWWPMMOJPKH-SFYZADRCSA-N
XLogP1.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
butan-2-yl 2-chloropropanoate
CID 519977
(2S)-2-[acetyl(methyl)amino]propanamide
CID 55282132
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
[(2R)-butan-2-yl] (2R)-2-methylpentanoate
CID 173085565
butan-2-yl 2-(dimethylamino)acetate
CID 134215874
butan-2-yl 2-[methyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 67262784
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate?
The IUPAC name of [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate (CID 174076582) is [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate.
What is the SMILES notation for [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate?
The canonical SMILES for [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate is CC[C@@H](C)OC(=O)[C@H](C)N(C)C(C)=O.
What is the InChIKey of [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate?
The InChIKey is OXYNWWPMMOJPKH-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-7(2)14-10(13)8(3)11(5)9(4)12/h7-8H,6H2,1-5H3/t7-,8+/m1/s1.
What are the key properties of [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate?
[(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate has a molecular weight of 201.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] (2S)-2-[acetyl(methyl)amino]propanoate is sourced from PubChem (CID 174076582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).