2-(dimethylamino)ethyl 4-oxopentanoate

C9H17NO3 — CID 21027209

IUPAC2-(dimethylamino)ethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCN(C)C
InChIInChI=1S/C9H17NO3/c1-8(11)4-5-9(12)13-7-6-10(2)3/h4-7H2,1-3H3
InChIKeyOJRMYVJVWJSOSS-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.46
Rot. Bonds6

About 2-(dimethylamino)ethyl 4-oxopentanoate

2-(dimethylamino)ethyl 4-oxopentanoate (PubChem CID 21027209) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-oxopentanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-oxopentanoate
PubChem CID21027209
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(dimethylamino)ethyl 4-oxopentanoate
SMILESCC(=O)CCC(=O)OCCN(C)C
InChIInChI=1S/C9H17NO3/c1-8(11)4-5-9(12)13-7-6-10(2)3/h4-7H2,1-3H3
InChIKeyOJRMYVJVWJSOSS-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 21421399
2-hydroxyethyl 3-(dimethylamino)propanoate
CID 20769160
bis[2-(dimethylamino)ethyl] octadec-9-enedioate
CID 123953757
2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate
CID 118689097
2-ethoxyethyl 4-oxopentanoate
CID 22556205
2-(dimethylamino)ethyl 3-pyrrolidin-1-ylpropanoate
CID 131853117
2-oxopropyl 4-oxopentanoate
CID 56979422
(2S)-2-acetamido-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 71358024
3-(dimethylamino)propyl 3-sulfanylpropanoate
CID 71427111
2-(2,2-dimethylpropanoyloxy)ethyl 4-oxopentanoate
CID 122591225

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-oxopentanoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-oxopentanoate (CID 21027209) is 2-(dimethylamino)ethyl 4-oxopentanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-oxopentanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-oxopentanoate is CC(=O)CCC(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 4-oxopentanoate?
The InChIKey is OJRMYVJVWJSOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(11)4-5-9(12)13-7-6-10(2)3/h4-7H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 4-oxopentanoate?
2-(dimethylamino)ethyl 4-oxopentanoate has a molecular weight of 187.24 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-oxopentanoate is sourced from PubChem (CID 21027209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).