2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid

C16H26N2O4 — CID 134107589

IUPAC2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCCN1C(=O)[C@H](CC(=O)O)N(CC(C)CCC=C(C)C)C1=O
InChIInChI=1S/C16H26N2O4/c1-5-17-15(21)13(9-14(19)20)18(16(17)22)10-12(4)8-6-7-11(2)3/h7,12-13H,5-6,8-10H2,1-4H3,(H,19,20)/t12?,13-/m0/s1
InChIKeyGIDMEYWXZGLEOG-ABLWVSNPSA-N
MW310.39 g/mol
LogP2.50
Rot. Bonds8

About 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid

2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid (PubChem CID 134107589) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid
PubChem CID134107589
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCCN1C(=O)[C@H](CC(=O)O)N(CC(C)CCC=C(C)C)C1=O
InChIInChI=1S/C16H26N2O4/c1-5-17-15(21)13(9-14(19)20)18(16(17)22)10-12(4)8-6-7-11(2)3/h7,12-13H,5-6,8-10H2,1-4H3,(H,19,20)/t12?,13-/m0/s1
InChIKeyGIDMEYWXZGLEOG-ABLWVSNPSA-N
XLogP2.50
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid (CID 134107589) is 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid is CCN1C(=O)[C@H](CC(=O)O)N(CC(C)CCC=C(C)C)C1=O.
What is the InChIKey of 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
The InChIKey is GIDMEYWXZGLEOG-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-5-17-15(21)13(9-14(19)20)18(16(17)22)10-12(4)8-6-7-11(2)3/h7,12-13H,5-6,8-10H2,1-4H3,(H,19,20)/t12?,13-/m0/s1.
What are the key properties of 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid?
2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid has a molecular weight of 310.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3-(2,6-dimethylhept-5-enyl)-1-ethyl-2,5-dioxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 134107589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).