N-[(2R)-3-oxobutan-2-yl]acetamide

C6H11NO2 — CID 7000101

IUPACN-[(2R)-3-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(C)=O
InChIInChI=1S/C6H11NO2/c1-4(5(2)8)7-6(3)9/h4H,1-3H3,(H,7,9)/t4-/m1/s1
InChIKeyIRVPUNRJDRXQBL-SCSAIBSYSA-N
MW129.16 g/mol
LogP0.10
Rot. Bonds2

About N-[(2R)-3-oxobutan-2-yl]acetamide

N-[(2R)-3-oxobutan-2-yl]acetamide (PubChem CID 7000101) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-[(2R)-3-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-oxobutan-2-yl]acetamide
PubChem CID7000101
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-[(2R)-3-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(C)=O
InChIInChI=1S/C6H11NO2/c1-4(5(2)8)7-6(3)9/h4H,1-3H3,(H,7,9)/t4-/m1/s1
InChIKeyIRVPUNRJDRXQBL-SCSAIBSYSA-N
XLogP0.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methyl-2-oxopropyl)acetamide
CID 97923
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
N-sec-Butylacetamide
CID 347477
2-Acetamidopropanamide
CID 152381
Isopropylpropionamid
CID 347475
N-Acetylalanyl-N-methylamide
CID 5484387
(S)-2-Acetamidopropanamide
CID 6950965
N-[(1S)-1-methyl-2-oxobutyl]acetamide
CID 55286589
(2R)-2-amino-N-(3-oxobutan-2-yl)propanamide;hydrobromide
CID 90678145
N-(2-oxopropyl)acetamide
CID 82185

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-oxobutan-2-yl]acetamide (CID 7000101) is N-[(2R)-3-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-oxobutan-2-yl]acetamide is CC(=O)N[C@H](C)C(C)=O.
What is the InChIKey of N-[(2R)-3-oxobutan-2-yl]acetamide?
The InChIKey is IRVPUNRJDRXQBL-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(5(2)8)7-6(3)9/h4H,1-3H3,(H,7,9)/t4-/m1/s1.
What are the key properties of N-[(2R)-3-oxobutan-2-yl]acetamide?
N-[(2R)-3-oxobutan-2-yl]acetamide has a molecular weight of 129.16 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-oxobutan-2-yl]acetamide is sourced from PubChem (CID 7000101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).