methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate

C13H24N2O2 — CID 55142185

IUPACmethyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-4-10(2)14-13(12(16)17-3)7-8-15(9-13)11-5-6-11/h10-11,14H,4-9H2,1-3H3
InChIKeyYKTFKDSTLBNVJR-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds5

About methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate

methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate (PubChem CID 55142185) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate
PubChem CID55142185
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate
SMILESCCC(C)NC1(C(=O)OC)CCN(C2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-4-10(2)14-13(12(16)17-3)7-8-15(9-13)11-5-6-11/h10-11,14H,4-9H2,1-3H3
InChIKeyYKTFKDSTLBNVJR-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate (CID 55142185) is methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate is CCC(C)NC1(C(=O)OC)CCN(C2CC2)C1.
What is the InChIKey of methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate?
The InChIKey is YKTFKDSTLBNVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-10(2)14-13(12(16)17-3)7-8-15(9-13)11-5-6-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate?
methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(butan-2-ylamino)-1-cyclopropylpyrrolidine-3-carboxylate is sourced from PubChem (CID 55142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).