N-[(2S)-3-oxopentan-2-yl]acetamide

C7H13NO2 — CID 55286589

IUPACN-[(2S)-3-oxopentan-2-yl]acetamide
SMILESCCC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C7H13NO2/c1-4-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyHJVMRLXOYGGMIH-YFKPBYRVSA-N
MW143.19 g/mol
LogP0.49
Rot. Bonds3

About N-[(2S)-3-oxopentan-2-yl]acetamide

N-[(2S)-3-oxopentan-2-yl]acetamide (PubChem CID 55286589) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-[(2S)-3-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-oxopentan-2-yl]acetamide
PubChem CID55286589
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-[(2S)-3-oxopentan-2-yl]acetamide
SMILESCCC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C7H13NO2/c1-4-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyHJVMRLXOYGGMIH-YFKPBYRVSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-oxopentan-2-yl]acetamide (CID 55286589) is N-[(2S)-3-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-oxopentan-2-yl]acetamide is CCC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S)-3-oxopentan-2-yl]acetamide?
The InChIKey is HJVMRLXOYGGMIH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-7(10)5(2)8-6(3)9/h5H,4H2,1-3H3,(H,8,9)/t5-/m0/s1.
What are the key properties of N-[(2S)-3-oxopentan-2-yl]acetamide?
N-[(2S)-3-oxopentan-2-yl]acetamide has a molecular weight of 143.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxopentan-2-yl]acetamide is sourced from PubChem (CID 55286589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).