(2S)-2-acetamido-N-methylpropanamide

C6H12N2O2 — CID 5484387

IUPAC(2S)-2-acetamido-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/t4-/m0/s1
InChIKeyVHCVPWSUVMHJLL-BYPYZUCNSA-N
MW144.17 g/mol
LogP-0.74
Rot. Bonds2

About (2S)-2-acetamido-N-methylpropanamide

(2S)-2-acetamido-N-methylpropanamide (PubChem CID 5484387) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S)-2-acetamido-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-methylpropanamide
PubChem CID5484387
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(2S)-2-acetamido-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/t4-/m0/s1
InChIKeyVHCVPWSUVMHJLL-BYPYZUCNSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-methylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-methylpropanamide (CID 5484387) is (2S)-2-acetamido-N-methylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-methylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-methylpropanamide is CNC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-methylpropanamide?
The InChIKey is VHCVPWSUVMHJLL-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(6(10)7-3)8-5(2)9/h4H,1-3H3,(H,7,10)(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-methylpropanamide?
(2S)-2-acetamido-N-methylpropanamide has a molecular weight of 144.17 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-methylpropanamide is sourced from PubChem (CID 5484387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).