N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide

C6H13NO2 — CID 54539677

IUPACN-[(2S,3S)-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H](C)O
InChIInChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1
InChIKeyZCGNIFXXTKDQRT-WHFBIAKZSA-N
MW131.17 g/mol
LogP-0.11
Rot. Bonds2

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

N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide (PubChem CID 54539677) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-hydroxybutan-2-yl]acetamide
PubChem CID54539677
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC NameN-[(2S,3S)-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)[C@H](C)O
InChIInChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1
InChIKeyZCGNIFXXTKDQRT-WHFBIAKZSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide (CID 54539677) is N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide is CC(=O)N[C@@H](C)[C@H](C)O.
What is the InChIKey of N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide?
The InChIKey is ZCGNIFXXTKDQRT-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1.
What are the key properties of N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide?
N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide has a molecular weight of 131.17 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 54539677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).