N-[(2S)-1-hydroxypentan-2-yl]acetamide

C7H15NO2 — CID 10464451

IUPACN-[(2S)-1-hydroxypentan-2-yl]acetamide
SMILESCCC[C@@H](CO)NC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-4-7(5-9)8-6(2)10/h7,9H,3-5H2,1-2H3,(H,8,10)/t7-/m0/s1
InChIKeyDTPZJXKYHPZFIN-ZETCQYMHSA-N
MW145.20 g/mol
LogP0.28
Rot. Bonds4

About N-[(2S)-1-hydroxypentan-2-yl]acetamide

N-[(2S)-1-hydroxypentan-2-yl]acetamide (PubChem CID 10464451) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypentan-2-yl]acetamide
PubChem CID10464451
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-[(2S)-1-hydroxypentan-2-yl]acetamide
SMILESCCC[C@@H](CO)NC(C)=O
InChIInChI=1S/C7H15NO2/c1-3-4-7(5-9)8-6(2)10/h7,9H,3-5H2,1-2H3,(H,8,10)/t7-/m0/s1
InChIKeyDTPZJXKYHPZFIN-ZETCQYMHSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-pentadecan-4-ylacetamide
CID 87419548
N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
CID 157037781
4-acetamido-5-hydroxypentanamide
CID 123414269
[(2S)-2-acetamidopentyl] acetate
CID 14619274
[(2R)-2-acetamidopentyl] acetate
CID 10442452
(2S)-2-acetamido-N-(1-hydroxyhexan-2-yl)-4-methylpentanamide
CID 18659589
N-[1-hydroxy-3-(2-methylbutan-2-yloxy)propan-2-yl]acetamide
CID 134215824
N-(1-methylsulfanylhexan-2-yl)acetamide
CID 20559067
2-acetamidopentanamide
CID 23273489
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
(3S)-3-acetamidononanoic acid
CID 2195186
N-(1-fluorooctan-3-yl)acetamide
CID 45120198

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-hydroxypentan-2-yl]acetamide (CID 10464451) is N-[(2S)-1-hydroxypentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxypentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxypentan-2-yl]acetamide is CCC[C@@H](CO)NC(C)=O.
What is the InChIKey of N-[(2S)-1-hydroxypentan-2-yl]acetamide?
The InChIKey is DTPZJXKYHPZFIN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-7(5-9)8-6(2)10/h7,9H,3-5H2,1-2H3,(H,8,10)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypentan-2-yl]acetamide?
N-[(2S)-1-hydroxypentan-2-yl]acetamide has a molecular weight of 145.20 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypentan-2-yl]acetamide is sourced from PubChem (CID 10464451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).