ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate

C11H18N2O3 — CID 65465117

IUPACethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1(N)CC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-2-16-9(14)7-13(8-3-4-8)10(15)11(12)5-6-11/h8H,2-7,12H2,1H3
InChIKeySNZWPSYMJMJUBK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.03
Rot. Bonds5

About ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate

ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate (PubChem CID 65465117) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
PubChem CID65465117
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1(N)CC1)C1CC1
InChIInChI=1S/C11H18N2O3/c1-2-16-9(14)7-13(8-3-4-8)10(15)11(12)5-6-11/h8H,2-7,12H2,1H3
InChIKeySNZWPSYMJMJUBK-UHFFFAOYSA-N
XLogP0.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate
CID 113311631
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131815
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
ethyl 2-[(1-carbamothioyl-3-methylcyclobutanecarbonyl)-cyclopropylamino]acetate
CID 80589737
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-[(1-aminocyclobutanecarbonyl)-cyclopropylamino]acetic acid
CID 81173046
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
ethyl 2-[cyclopropyl(cyclopropylcarbamoyl)amino]acetate
CID 62698175
ethyl 2-[cyclopropyl(2-hydroxyethoxycarbonyl)amino]acetate
CID 79345308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate (CID 65465117) is ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)C1(N)CC1)C1CC1.
What is the InChIKey of ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate?
The InChIKey is SNZWPSYMJMJUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-16-9(14)7-13(8-3-4-8)10(15)11(12)5-6-11/h8H,2-7,12H2,1H3.
What are the key properties of ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate?
ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate has a molecular weight of 226.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate is sourced from PubChem (CID 65465117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).