ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate

C11H18N2O3 — CID 62698175

IUPACethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)NC1CC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-2-16-10(14)7-13(9-5-6-9)11(15)12-8-3-4-8/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyYOGLMNZGRUIJQB-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.89
Rot. Bonds5

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

ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate (PubChem CID 62698175) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
PubChem CID62698175
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)NC1CC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-2-16-10(14)7-13(9-5-6-9)11(15)12-8-3-4-8/h8-9H,2-7H2,1H3,(H,12,15)
InChIKeyYOGLMNZGRUIJQB-UHFFFAOYSA-N
XLogP0.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55006428
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
2-[[cyclopropyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084635
ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate
CID 107654415
1-butyl-1,3-dicyclopropylurea
CID 115579407
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate (CID 62698175) is ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate is CCOC(=O)CN(C(=O)NC1CC1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate?
The InChIKey is YOGLMNZGRUIJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-16-10(14)7-13(9-5-6-9)11(15)12-8-3-4-8/h8-9H,2-7H2,1H3,(H,12,15).
What are the key properties of ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate?
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate has a molecular weight of 226.28 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate is sourced from PubChem (CID 62698175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).