methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate

C12H20N2O2 — CID 62977893

IUPACmethyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCN(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-16-11(15)12(13-9-2-3-9)6-7-14(8-12)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyVUPPUSAAKQEVIP-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.52
Rot. Bonds4

About methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate

methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate (PubChem CID 62977893) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate
PubChem CID62977893
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Namemethyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCN(C2CC2)C1
InChIInChI=1S/C12H20N2O2/c1-16-11(15)12(13-9-2-3-9)6-7-14(8-12)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyVUPPUSAAKQEVIP-UHFFFAOYSA-N
XLogP0.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate (CID 62977893) is methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate is COC(=O)C1(NC2CC2)CCN(C2CC2)C1.
What is the InChIKey of methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate?
The InChIKey is VUPPUSAAKQEVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-11(15)12(13-9-2-3-9)6-7-14(8-12)10-4-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate?
methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-3-(cyclopropylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 62977893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).