methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate

C13H22N2O4 — CID 54942390

IUPACmethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCN1CC(C(=O)N(CC(=O)OC)C(C)C)CC1=O
InChIInChI=1S/C13H22N2O4/c1-5-14-7-10(6-11(14)16)13(18)15(9(2)3)8-12(17)19-4/h9-10H,5-8H2,1-4H3
InChIKeyDIBHWFKZTCARQN-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.26
Rot. Bonds5

About methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 54942390) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID54942390
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCN1CC(C(=O)N(CC(=O)OC)C(C)C)CC1=O
InChIInChI=1S/C13H22N2O4/c1-5-14-7-10(6-11(14)16)13(18)15(9(2)3)8-12(17)19-4/h9-10H,5-8H2,1-4H3
InChIKeyDIBHWFKZTCARQN-UHFFFAOYSA-N
XLogP0.26
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate (CID 54942390) is methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate is CCN1CC(C(=O)N(CC(=O)OC)C(C)C)CC1=O.
What is the InChIKey of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is DIBHWFKZTCARQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-14-7-10(6-11(14)16)13(18)15(9(2)3)8-12(17)19-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 270.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 54942390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).