2-(ethylcarbamoylamino)ethyl butanoate

C9H18N2O3 — CID 56805139

IUPAC2-(ethylcarbamoylamino)ethyl butanoate
SMILESCCCC(=O)OCCNC(=O)NCC
InChIInChI=1S/C9H18N2O3/c1-3-5-8(12)14-7-6-11-9(13)10-4-2/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyRIKUXHTWDQKTNR-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.65
Rot. Bonds6

About 2-(ethylcarbamoylamino)ethyl butanoate

2-(ethylcarbamoylamino)ethyl butanoate (PubChem CID 56805139) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)ethyl butanoate.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)ethyl butanoate
PubChem CID56805139
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(ethylcarbamoylamino)ethyl butanoate
SMILESCCCC(=O)OCCNC(=O)NCC
InChIInChI=1S/C9H18N2O3/c1-3-5-8(12)14-7-6-11-9(13)10-4-2/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyRIKUXHTWDQKTNR-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
2-butanoyloxyethyl butanoate;methane
CID 161018761
methane;propyl butanoate
CID 157187060
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylcarbamoyloxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl butanoate
CID 157351011
2-(3-prop-2-enoyloxypropoxycarbonylamino)ethyl butanoate
CID 88854736
pentyl butanoate
CID 10890
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
2-carboxyoxyethyl butanoate
CID 140975603
1,3-diethylurea;ethane
CID 142885504
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
1-ethyl-3-[5-(ethylcarbamoylamino)pentyl]urea
CID 131888361
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)ethyl butanoate?
The IUPAC name of 2-(ethylcarbamoylamino)ethyl butanoate (CID 56805139) is 2-(ethylcarbamoylamino)ethyl butanoate.
What is the SMILES notation for 2-(ethylcarbamoylamino)ethyl butanoate?
The canonical SMILES for 2-(ethylcarbamoylamino)ethyl butanoate is CCCC(=O)OCCNC(=O)NCC.
What is the InChIKey of 2-(ethylcarbamoylamino)ethyl butanoate?
The InChIKey is RIKUXHTWDQKTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-8(12)14-7-6-11-9(13)10-4-2/h3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 2-(ethylcarbamoylamino)ethyl butanoate?
2-(ethylcarbamoylamino)ethyl butanoate has a molecular weight of 202.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)ethyl butanoate is sourced from PubChem (CID 56805139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).