ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate

C12H21NO4 — CID 118977664

IUPACethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
SMILESCCOC(=O)CCNC1(CC(=O)OCC)CC1
InChIInChI=1S/C12H21NO4/c1-3-16-10(14)5-8-13-12(6-7-12)9-11(15)17-4-2/h13H,3-9H2,1-2H3
InChIKeySCOOHKBCEHPMQD-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.01
Rot. Bonds8

About ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate

ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate (PubChem CID 118977664) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
PubChem CID118977664
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate
SMILESCCOC(=O)CCNC1(CC(=O)OCC)CC1
InChIInChI=1S/C12H21NO4/c1-3-16-10(14)5-8-13-12(6-7-12)9-11(15)17-4-2/h13H,3-9H2,1-2H3
InChIKeySCOOHKBCEHPMQD-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-(2-ethoxy-2-oxoethyl)oxan-4-yl]amino]propanoate
CID 177138623
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
ethyl 2-[4,4-dimethyl-1-(propylamino)cycloheptyl]acetate
CID 65235940
ethyl 2-[4-ethyl-1-(propylamino)cyclohexyl]acetate
CID 65236090
ethyl 2-[4-methoxy-1-(propylamino)cyclohexyl]acetate
CID 113414624
ethyl 2-[4-propan-2-yl-1-(propylamino)cyclohexyl]acetate
CID 65235883
ethyl 2-[4,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236678
ethyl 1-[(3-ethoxy-3-oxopropyl)amino]cyclohexane-1-carboxylate
CID 13282852
ethyl 2-[1-(ethylamino)-4-methylcyclohexyl]acetate
CID 65233937
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
CID 119708251
ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824510
ethyl 3-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169398

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate?
The IUPAC name of ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate (CID 118977664) is ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate is CCOC(=O)CCNC1(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate?
The InChIKey is SCOOHKBCEHPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-16-10(14)5-8-13-12(6-7-12)9-11(15)17-4-2/h13H,3-9H2,1-2H3.
What are the key properties of ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate?
ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate has a molecular weight of 243.30 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(2-ethoxy-2-oxoethyl)cyclopropyl]amino]propanoate is sourced from PubChem (CID 118977664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).