2-[acetyl(methyl)amino]ethyl butanoate

C9H17NO3 — CID 149367437

IUPAC2-[acetyl(methyl)amino]ethyl butanoate
SMILESCCCC(=O)OCCN(C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-9(12)13-7-6-10(3)8(2)11/h4-7H2,1-3H3
InChIKeyYJDARIQORJLXAI-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.81
Rot. Bonds5

About 2-[acetyl(methyl)amino]ethyl butanoate

2-[acetyl(methyl)amino]ethyl butanoate (PubChem CID 149367437) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]ethyl butanoate.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]ethyl butanoate
PubChem CID149367437
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[acetyl(methyl)amino]ethyl butanoate
SMILESCCCC(=O)OCCN(C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-9(12)13-7-6-10(3)8(2)11/h4-7H2,1-3H3
InChIKeyYJDARIQORJLXAI-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Butyrylcholine iodide
CID 17232
Butyrylcholine chloride
CID 76297
Butanoic acid, 2-(dimethylamino)ethyl ester
CID 85508
N,N-Bis(acetoxyethyl)acetamide
CID 21430
Butyrylcholine
CID 17233
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
Acetamide, N-(2-butoxyethyl)-N-ethyl-
CID 3050601
Ethanaminium, N,N,N-trimethyl-2-(1-oxobutoxy)-, bromide (1:1)
CID 3015030
Sarcosine, N-isobutyryl-, ethyl ester
CID 61597567
Ethyl 10-propanoyl-1,7-dioxa-4,10-diazacyclododecane-4-carboxylate
CID 804206
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
Sarcosine, N-valeryl-, butyl ester
CID 15925521

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]ethyl butanoate?
The IUPAC name of 2-[acetyl(methyl)amino]ethyl butanoate (CID 149367437) is 2-[acetyl(methyl)amino]ethyl butanoate.
What is the SMILES notation for 2-[acetyl(methyl)amino]ethyl butanoate?
The canonical SMILES for 2-[acetyl(methyl)amino]ethyl butanoate is CCCC(=O)OCCN(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]ethyl butanoate?
The InChIKey is YJDARIQORJLXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-9(12)13-7-6-10(3)8(2)11/h4-7H2,1-3H3.
What are the key properties of 2-[acetyl(methyl)amino]ethyl butanoate?
2-[acetyl(methyl)amino]ethyl butanoate has a molecular weight of 187.24 g/mol, XLogP of 0.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]ethyl butanoate is sourced from PubChem (CID 149367437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).