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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Related Compounds

5-acetamido-4-hydroxyhexanoic acid
CID 45119565
N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide
CID 54753229
N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide
CID 54753225
tert-butyl N-[(2S,3S)-3-hydroxypentan-2-yl]carbamate;ethane;molecular hydrogen
CID 144591557
N-[(2S)-3-aminobutan-2-yl]acetamide
CID 58714923
N-[(2R,3R)-3-bromobutan-2-yl]acetamide
CID 130631438
N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide
CID 14235828
N-[(1S,2R)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]acetamide
CID 102320660
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
N-(3-hydroxypentan-2-yl)methanesulfonamide
CID 131228014
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249
N-(3-iodo-4-phenylbutan-2-yl)acetamide
CID 121008099

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).