methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate

C16H24N2O4 — CID 11666705

IUPACmethyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate
SMILESC=CCN(CC(=O)N1CCC[C@@]1(CC=C)C(=O)OC)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-5-8-16(15(21)22-4)9-7-11-18(16)14(20)12-17(10-6-2)13(3)19/h5-6H,1-2,7-12H2,3-4H3/t16-/m0/s1
InChIKeyUMTWCKMMQPESGY-INIZCTEOSA-N
MW308.38 g/mol
LogP1.13
Rot. Bonds7

About methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate

methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate (PubChem CID 11666705) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate
PubChem CID11666705
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate
SMILESC=CCN(CC(=O)N1CCC[C@@]1(CC=C)C(=O)OC)C(C)=O
InChIInChI=1S/C16H24N2O4/c1-5-8-16(15(21)22-4)9-7-11-18(16)14(20)12-17(10-6-2)13(3)19/h5-6H,1-2,7-12H2,3-4H3/t16-/m0/s1
InChIKeyUMTWCKMMQPESGY-INIZCTEOSA-N
XLogP1.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.13
H-Bond Donors ≤ 50
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 (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate (CID 11666705) is methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate is C=CCN(CC(=O)N1CCC[C@@]1(CC=C)C(=O)OC)C(C)=O.
What is the InChIKey of methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate?
The InChIKey is UMTWCKMMQPESGY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-8-16(15(21)22-4)9-7-11-18(16)14(20)12-17(10-6-2)13(3)19/h5-6H,1-2,7-12H2,3-4H3/t16-/m0/s1.
What are the key properties of methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate?
methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-[acetyl(prop-2-enyl)amino]acetyl]-2-prop-2-enylpyrrolidine-2-carboxylate is sourced from PubChem (CID 11666705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).