ethyl 4-(diethylcarbamoyloxy)pentanoate

C12H23NO4 — CID 122517584

IUPACethyl 4-(diethylcarbamoyloxy)pentanoate
SMILESCCOC(=O)CCC(C)OC(=O)N(CC)CC
InChIInChI=1S/C12H23NO4/c1-5-13(6-2)12(15)17-10(4)8-9-11(14)16-7-3/h10H,5-9H2,1-4H3
InChIKeyUMXBUODWXKOIOZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.20
Rot. Bonds7

About ethyl 4-(diethylcarbamoyloxy)pentanoate

ethyl 4-(diethylcarbamoyloxy)pentanoate (PubChem CID 122517584) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 4-(diethylcarbamoyloxy)pentanoate.

Molecular Properties

Compound Nameethyl 4-(diethylcarbamoyloxy)pentanoate
PubChem CID122517584
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 4-(diethylcarbamoyloxy)pentanoate
SMILESCCOC(=O)CCC(C)OC(=O)N(CC)CC
InChIInChI=1S/C12H23NO4/c1-5-13(6-2)12(15)17-10(4)8-9-11(14)16-7-3/h10H,5-9H2,1-4H3
InChIKeyUMXBUODWXKOIOZ-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

octan-2-yl N,N-diethylcarbamate
CID 175430238
ethyl 5-acetyloxyhexanoate
CID 529299
diethyl (2S)-2-methylpentanedioate
CID 89120789
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
diethyl 4-(methylamino)heptanedioate
CID 88543894
ethyl 2-(diethylcarbamoyloxy)-3,3-dimethylbutanoate
CID 122517635
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
[(2R,3S)-3-hydroxybutan-2-yl] N,N-diethylcarbamate
CID 101353524
diethyl 4-iodoheptanedioate
CID 102577942
ethyl 2-[4-methoxypentanoyl(prop-2-enyl)amino]acetate
CID 113374924
ethyl 17-methyloctadecanoate
CID 122524767

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylcarbamoyloxy)pentanoate?
The IUPAC name of ethyl 4-(diethylcarbamoyloxy)pentanoate (CID 122517584) is ethyl 4-(diethylcarbamoyloxy)pentanoate.
What is the SMILES notation for ethyl 4-(diethylcarbamoyloxy)pentanoate?
The canonical SMILES for ethyl 4-(diethylcarbamoyloxy)pentanoate is CCOC(=O)CCC(C)OC(=O)N(CC)CC.
What is the InChIKey of ethyl 4-(diethylcarbamoyloxy)pentanoate?
The InChIKey is UMXBUODWXKOIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-13(6-2)12(15)17-10(4)8-9-11(14)16-7-3/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(diethylcarbamoyloxy)pentanoate?
ethyl 4-(diethylcarbamoyloxy)pentanoate has a molecular weight of 245.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylcarbamoyloxy)pentanoate is sourced from PubChem (CID 122517584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).