methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate

C13H25N3O3 — CID 79650879

IUPACmethyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(CC(NC)C(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-4-16-13(12(18)19-3)6-5-9(8-13)7-10(15-2)11(14)17/h9-10,15-16H,4-8H2,1-3H3,(H2,14,17)
InChIKeyHUJBUYOCEHUFJQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.23
Rot. Bonds7

About methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate

methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 79650879) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID79650879
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OC)CCC(CC(NC)C(N)=O)C1
InChIInChI=1S/C13H25N3O3/c1-4-16-13(12(18)19-3)6-5-9(8-13)7-10(15-2)11(14)17/h9-10,15-16H,4-8H2,1-3H3,(H2,14,17)
InChIKeyHUJBUYOCEHUFJQ-UHFFFAOYSA-N
XLogP-0.23
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate 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

methyl 4-ethyl-1-(ethylamino)cyclohexane-1-carboxylate
CID 60787527
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
methyl 1-(ethylamino)-3-(3-methylbutylsulfanyl)cyclopentane-1-carboxylate
CID 107756300
methyl 3-[cyclobutylmethyl(methyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79651691
methyl 1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclopentane-1-carboxylate
CID 79653590
methyl 3-butoxy-1-(ethylamino)cyclopentane-1-carboxylate
CID 79648618
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 1-(ethylamino)-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64757218
methyl 1-(ethylamino)-3-(2-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylate
CID 79651308
methyl 1-(ethylamino)-3-[3-(2-methoxyethoxy)propoxy]cyclopentane-1-carboxylate
CID 103404908
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79636151

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate (CID 79650879) is methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate is CCNC1(C(=O)OC)CCC(CC(NC)C(N)=O)C1.
What is the InChIKey of methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is HUJBUYOCEHUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-16-13(12(18)19-3)6-5-9(8-13)7-10(15-2)11(14)17/h9-10,15-16H,4-8H2,1-3H3,(H2,14,17).
What are the key properties of methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate?
methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-amino-2-(methylamino)-3-oxopropyl]-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79650879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).