ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate

C13H22N2O3 — CID 113311631

IUPACethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1(CN)CCC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-11(16)8-15(10-4-5-10)12(17)13(9-14)6-3-7-13/h10H,2-9,14H2,1H3
InChIKeyNXBNCTMYZYRVQL-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.67
Rot. Bonds6

About ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate

ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate (PubChem CID 113311631) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate
PubChem CID113311631
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1(CN)CCC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-2-18-11(16)8-15(10-4-5-10)12(17)13(9-14)6-3-7-13/h10H,2-9,14H2,1H3
InChIKeyNXBNCTMYZYRVQL-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131815
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
1-(aminomethyl)-N-cyclopropyl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 115441467
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylcyclobutane-1-carboxamide
CID 80588442
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
CID 113307595
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate (CID 113311631) is ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)C1(CN)CCC1)C1CC1.
What is the InChIKey of ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate?
The InChIKey is NXBNCTMYZYRVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-11(16)8-15(10-4-5-10)12(17)13(9-14)6-3-7-13/h10H,2-9,14H2,1H3.
What are the key properties of ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate?
ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate has a molecular weight of 254.33 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(aminomethyl)cyclobutanecarbonyl]-cyclopropylamino]acetate is sourced from PubChem (CID 113311631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).