ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate

C12H19NO3 — CID 55150350

IUPACethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CCC1)C1CC1
InChIInChI=1S/C12H19NO3/c1-2-16-11(14)8-13(10-6-7-10)12(15)9-4-3-5-9/h9-10H,2-8H2,1H3
InChIKeyDBMAQIKDJKSIOZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds5

About ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate

ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate (PubChem CID 55150350) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
PubChem CID55150350
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1CCC1)C1CC1
InChIInChI=1S/C12H19NO3/c1-2-16-11(14)8-13(10-6-7-10)12(15)9-4-3-5-9/h9-10H,2-8H2,1H3
InChIKeyDBMAQIKDJKSIOZ-UHFFFAOYSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
CID 55147699
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
ethyl 2-[cyclopropyl-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetate
CID 61410023
5-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688226
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
(1S,6R)-6-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962226
6-[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60950323
N-(4-aminocyclohexyl)-N-ethylcyclobutanecarboxamide
CID 79116436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate (CID 55150350) is ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate is CCOC(=O)CN(C(=O)C1CCC1)C1CC1.
What is the InChIKey of ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate?
The InChIKey is DBMAQIKDJKSIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-16-11(14)8-13(10-6-7-10)12(15)9-4-3-5-9/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate?
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate has a molecular weight of 225.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate is sourced from PubChem (CID 55150350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).