N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide

C7H15NO2 — CID 101486755

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

About N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide

N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide (PubChem CID 101486755) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4S)-4-hydroxypentan-2-yl]acetamide
PubChem CID101486755
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-[(2S,4S)-4-hydroxypentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C[C@H](C)O
InChIInChI=1S/C7H15NO2/c1-5(4-6(2)9)8-7(3)10/h5-6,9H,4H2,1-3H3,(H,8,10)/t5-,6-/m0/s1
InChIKeyRKMWLZUZJXKMLA-WDSKDSINSA-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

N-(3-Hydroxybutan-2-yl)acetamide
CID 19845146
N-(3-hydroxypropyl)acetamide
CID 2781177
N-(3-hydroxycyclopentyl)acetamide
CID 77487025
N-[(2S,3S)-3-hydroxybutan-2-yl]acetamide
CID 54539677
N-[(2S,3R)-3-hydroxypentan-2-yl]acetamide
CID 55301755
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12497496
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
N-(2-fluoro-3-hydroxybutyl)acetamide
CID 169215002
N-(1-hydroxybutan-2-yl)acetamide
CID 249903
4-Acetamido-1-pentanol
CID 541465
2,2-difluoro-N-(4-hydroxypentan-2-yl)acetamide
CID 103513982

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide?
The IUPAC name of N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide (CID 101486755) is N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide?
The canonical SMILES for N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide is CC(=O)N[C@@H](C)C[C@H](C)O.
What is the InChIKey of N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide?
The InChIKey is RKMWLZUZJXKMLA-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(4-6(2)9)8-7(3)10/h5-6,9H,4H2,1-3H3,(H,8,10)/t5-,6-/m0/s1.
What are the key properties of N-[(2S,4S)-4-hydroxypentan-2-yl]acetamide?
N-[(2S,4S)-4-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,4S)-4-hydroxypentan-2-yl]acetamide is sourced from PubChem (CID 101486755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).