dimethyl 2-(cyclopentylamino)butanedioate

C11H19NO4 — CID 70090764

IUPACdimethyl 2-(cyclopentylamino)butanedioate
SMILESCOC(=O)CC(NC1CCCC1)C(=O)OC
InChIInChI=1S/C11H19NO4/c1-15-10(13)7-9(11(14)16-2)12-8-5-3-4-6-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYALXXMCAMUOWOO-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.62
Rot. Bonds5

About dimethyl 2-(cyclopentylamino)butanedioate

dimethyl 2-(cyclopentylamino)butanedioate (PubChem CID 70090764) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is dimethyl 2-(cyclopentylamino)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(cyclopentylamino)butanedioate
PubChem CID70090764
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namedimethyl 2-(cyclopentylamino)butanedioate
SMILESCOC(=O)CC(NC1CCCC1)C(=O)OC
InChIInChI=1S/C11H19NO4/c1-15-10(13)7-9(11(14)16-2)12-8-5-3-4-6-8/h8-9,12H,3-7H2,1-2H3
InChIKeyYALXXMCAMUOWOO-UHFFFAOYSA-N
XLogP0.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 2-(cyclopentylamino)butanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(cyclopentylamino)butanedioate?
The IUPAC name of dimethyl 2-(cyclopentylamino)butanedioate (CID 70090764) is dimethyl 2-(cyclopentylamino)butanedioate.
What is the SMILES notation for dimethyl 2-(cyclopentylamino)butanedioate?
The canonical SMILES for dimethyl 2-(cyclopentylamino)butanedioate is COC(=O)CC(NC1CCCC1)C(=O)OC.
What is the InChIKey of dimethyl 2-(cyclopentylamino)butanedioate?
The InChIKey is YALXXMCAMUOWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-15-10(13)7-9(11(14)16-2)12-8-5-3-4-6-8/h8-9,12H,3-7H2,1-2H3.
What are the key properties of dimethyl 2-(cyclopentylamino)butanedioate?
dimethyl 2-(cyclopentylamino)butanedioate has a molecular weight of 229.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(cyclopentylamino)butanedioate is sourced from PubChem (CID 70090764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).