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

C7H15NO2 — CID 55301756

IUPACN-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
SMILESCC[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C7H15NO2/c1-4-7(10)5(2)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9)/t5-,7-/m0/s1
InChIKeyOTDAUCSBBYTJHP-FSPLSTOPSA-N
MW145.20 g/mol
LogP0.28
Rot. Bonds3

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

N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide (PubChem CID 55301756) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
PubChem CID55301756
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
SMILESCC[C@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C7H15NO2/c1-4-7(10)5(2)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9)/t5-,7-/m0/s1
InChIKeyOTDAUCSBBYTJHP-FSPLSTOPSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.28
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-hydroxypentan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide (CID 55301756) is N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide is CC[C@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide?
The InChIKey is OTDAUCSBBYTJHP-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-7(10)5(2)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9)/t5-,7-/m0/s1.
What are the key properties of N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide?
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide has a molecular weight of 145.20 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide is sourced from PubChem (CID 55301756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).