(2S)-2-acetamido-3-hydroxy-N-methylpropanamide

C6H12N2O3 — CID 14756234

IUPAC(2S)-2-acetamido-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)NC(C)=O
InChIInChI=1S/C6H12N2O3/c1-4(10)8-5(3-9)6(11)7-2/h5,9H,3H2,1-2H3,(H,7,11)(H,8,10)/t5-/m0/s1
InChIKeyWAZDXKZPWRIFLK-YFKPBYRVSA-N
MW160.17 g/mol
LogP-1.77
Rot. Bonds3

About (2S)-2-acetamido-3-hydroxy-N-methylpropanamide

(2S)-2-acetamido-3-hydroxy-N-methylpropanamide (PubChem CID 14756234) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S)-2-acetamido-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-hydroxy-N-methylpropanamide
PubChem CID14756234
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2S)-2-acetamido-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)NC(C)=O
InChIInChI=1S/C6H12N2O3/c1-4(10)8-5(3-9)6(11)7-2/h5,9H,3H2,1-2H3,(H,7,11)(H,8,10)/t5-/m0/s1
InChIKeyWAZDXKZPWRIFLK-YFKPBYRVSA-N
XLogP-1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Serylglycine
CID 7009644
Ala-Ser
CID 1549433
Glycylserine
CID 102466
Serine, glycyl-
CID 73086
Seryl-alanine
CID 7009579
2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate
CID 7009643
Thr-Ser
CID 7016065
Serinylthreonine zwitterion
CID 155903250
Thr-Ala
CID 7010578
3,6-Bis(hydroxymethyl)-2,5-piperazinedione
CID 138542
D-alanyl-D-serine zwitterion
CID 1549438
Threonylserine zwitterion
CID 7016064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-hydroxy-N-methylpropanamide?
The IUPAC name of (2S)-2-acetamido-3-hydroxy-N-methylpropanamide (CID 14756234) is (2S)-2-acetamido-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-3-hydroxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-acetamido-3-hydroxy-N-methylpropanamide is CNC(=O)[C@H](CO)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-3-hydroxy-N-methylpropanamide?
The InChIKey is WAZDXKZPWRIFLK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(10)8-5(3-9)6(11)7-2/h5,9H,3H2,1-2H3,(H,7,11)(H,8,10)/t5-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-hydroxy-N-methylpropanamide?
(2S)-2-acetamido-3-hydroxy-N-methylpropanamide has a molecular weight of 160.17 g/mol, XLogP of -1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 14756234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).