ethyl 3-carbamoyloxypropanoate

C6H11NO4 — CID 175485814

IUPACethyl 3-carbamoyloxypropanoate
SMILESCCOC(=O)CCOC(N)=O
InChIInChI=1S/C6H11NO4/c1-2-10-5(8)3-4-11-6(7)9/h2-4H2,1H3,(H2,7,9)
InChIKeyOBQLUXHMTRYTSM-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.03
Rot. Bonds4

About ethyl 3-carbamoyloxypropanoate

ethyl 3-carbamoyloxypropanoate (PubChem CID 175485814) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is ethyl 3-carbamoyloxypropanoate.

Molecular Properties

Compound Nameethyl 3-carbamoyloxypropanoate
PubChem CID175485814
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameethyl 3-carbamoyloxypropanoate
SMILESCCOC(=O)CCOC(N)=O
InChIInChI=1S/C6H11NO4/c1-2-10-5(8)3-4-11-6(7)9/h2-4H2,1H3,(H2,7,9)
InChIKeyOBQLUXHMTRYTSM-UHFFFAOYSA-N
XLogP0.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
(3-ethoxy-3-oxopropyl) 2-methylpropanoate
CID 59093040
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576
ethyl carbamate
CID 158786750
5-(3-ethoxy-3-oxopropoxy)-5-oxopentanoic acid
CID 150155538
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
ethyl (1,2-13C2)butanoate
CID 157463359
diethyl hexanedioate
CID 160747628
ethyl butanoate
CID 7762
ethyl carbamate;platinum
CID 174699937
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoyloxypropanoate?
The IUPAC name of ethyl 3-carbamoyloxypropanoate (CID 175485814) is ethyl 3-carbamoyloxypropanoate.
What is the SMILES notation for ethyl 3-carbamoyloxypropanoate?
The canonical SMILES for ethyl 3-carbamoyloxypropanoate is CCOC(=O)CCOC(N)=O.
What is the InChIKey of ethyl 3-carbamoyloxypropanoate?
The InChIKey is OBQLUXHMTRYTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-10-5(8)3-4-11-6(7)9/h2-4H2,1H3,(H2,7,9).
What are the key properties of ethyl 3-carbamoyloxypropanoate?
ethyl 3-carbamoyloxypropanoate has a molecular weight of 161.16 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoyloxypropanoate is sourced from PubChem (CID 175485814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).