ethyl (3R)-3-acetamidohexanoate

C10H19NO3 — CID 101002529

IUPACethyl (3R)-3-acetamidohexanoate
SMILESCCC[C@H](CC(=O)OCC)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-4-6-9(11-8(3)12)7-10(13)14-5-2/h9H,4-7H2,1-3H3,(H,11,12)/t9-/m1/s1
InChIKeyXGTRJVZAALZJOF-SECBINFHSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds6

About ethyl (3R)-3-acetamidohexanoate

ethyl (3R)-3-acetamidohexanoate (PubChem CID 101002529) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl (3R)-3-acetamidohexanoate.

Molecular Properties

Compound Nameethyl (3R)-3-acetamidohexanoate
PubChem CID101002529
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl (3R)-3-acetamidohexanoate
SMILESCCC[C@H](CC(=O)OCC)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-4-6-9(11-8(3)12)7-10(13)14-5-2/h9H,4-7H2,1-3H3,(H,11,12)/t9-/m1/s1
InChIKeyXGTRJVZAALZJOF-SECBINFHSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Acetamido-3-aminohexanoic acid
CID 440139
Methyl (5-oxopyrrolidin-2-yl)acetate
CID 14587545
Hexanoic acid, 6-(acetylamino)-, ethyl ester
CID 15881002
6-Acetamido-3-aminohexanoate
CID 25203588
Ethyl 3-(butylamino)-4,4,5,5,6,6,6-heptafluorohexanoate
CID 121003731
beta-Alanine, N-caproyl-, ethyl ester
CID 46835677
beta-Alanine, N-capryloyl-, octyl ester
CID 18625131
Ethyl 2-(pyrrolidin-2-yl)acetate hydrochloride
CID 50988249
(3S)-6-acetamido-3-aminohexanoate
CID 129011075
N'-acetyl-beta-lysine
CID 131434
Ethyl 2-(pyrrolidin-2-yl)acetate
CID 336545
beta-Alanine, n-heptafluorobutyryl-, hexyl ester
CID 91739902

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-acetamidohexanoate?
The IUPAC name of ethyl (3R)-3-acetamidohexanoate (CID 101002529) is ethyl (3R)-3-acetamidohexanoate.
What is the SMILES notation for ethyl (3R)-3-acetamidohexanoate?
The canonical SMILES for ethyl (3R)-3-acetamidohexanoate is CCC[C@H](CC(=O)OCC)NC(C)=O.
What is the InChIKey of ethyl (3R)-3-acetamidohexanoate?
The InChIKey is XGTRJVZAALZJOF-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-6-9(11-8(3)12)7-10(13)14-5-2/h9H,4-7H2,1-3H3,(H,11,12)/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-acetamidohexanoate?
ethyl (3R)-3-acetamidohexanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-acetamidohexanoate is sourced from PubChem (CID 101002529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).