methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate

C12H20N2O3 — CID 59684187

IUPACmethyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate
SMILESC=CC[C@@]1(C(=O)NCC(=O)OC)CCCN1C
InChIInChI=1S/C12H20N2O3/c1-4-6-12(7-5-8-14(12)2)11(16)13-9-10(15)17-3/h4H,1,5-9H2,2-3H3,(H,13,16)/t12-/m0/s1
InChIKeyZIGRWOTXZGYYFZ-LBPRGKRZSA-N
MW240.30 g/mol
LogP0.32
Rot. Bonds5

About methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate

methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate (PubChem CID 59684187) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate
PubChem CID59684187
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate
SMILESC=CC[C@@]1(C(=O)NCC(=O)OC)CCCN1C
InChIInChI=1S/C12H20N2O3/c1-4-6-12(7-5-8-14(12)2)11(16)13-9-10(15)17-3/h4H,1,5-9H2,2-3H3,(H,13,16)/t12-/m0/s1
InChIKeyZIGRWOTXZGYYFZ-LBPRGKRZSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate (CID 59684187) is methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate is C=CC[C@@]1(C(=O)NCC(=O)OC)CCCN1C.
What is the InChIKey of methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate?
The InChIKey is ZIGRWOTXZGYYFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-6-12(7-5-8-14(12)2)11(16)13-9-10(15)17-3/h4H,1,5-9H2,2-3H3,(H,13,16)/t12-/m0/s1.
What are the key properties of methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate?
methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate has a molecular weight of 240.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-1-methyl-2-prop-2-enylpyrrolidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 59684187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).