2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C14H14N3O6- — CID 2534969

IUPAC2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccc(OCC(N)=O)cc2)NC(=O)N(CC(=O)[O-])C1=O
InChIInChI=1S/C14H15N3O6/c1-14(12(21)17(6-11(19)20)13(22)16-14)8-2-4-9(5-3-8)23-7-10(15)18/h2-5H,6-7H2,1H3,(H2,15,18)(H,16,22)(H,19,20)/p-1/t14-/m0/s1
InChIKeyYGHFMUMNUYJCDA-AWEZNQCLSA-M
MW320.28 g/mol
LogP-1.93
Rot. Bonds6

About 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 2534969) has the molecular formula C14H14N3O6- and a molecular weight of 320.28 g/mol. Its IUPAC name is 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID2534969
Molecular FormulaC14H14N3O6-
Molecular Weight320.28 g/mol
Exact Mass320.09
IUPAC Name2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC[C@@]1(c2ccc(OCC(N)=O)cc2)NC(=O)N(CC(=O)[O-])C1=O
InChIInChI=1S/C14H15N3O6/c1-14(12(21)17(6-11(19)20)13(22)16-14)8-2-4-9(5-3-8)23-7-10(15)18/h2-5H,6-7H2,1H3,(H2,15,18)(H,16,22)(H,19,20)/p-1/t14-/m0/s1
InChIKeyYGHFMUMNUYJCDA-AWEZNQCLSA-M
XLogP-1.93
TPSA141.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55567225
2-[(4R)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246599
2-[(4S)-4-(4-aminophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 70246600
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
2-(4-chlorophenoxy)ethyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709567
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 32762583
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 51334227
N-carbamoyl-2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2691171
2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 41052245

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 2534969) is 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is C[C@@]1(c2ccc(OCC(N)=O)cc2)NC(=O)N(CC(=O)[O-])C1=O.
What is the InChIKey of 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is YGHFMUMNUYJCDA-AWEZNQCLSA-M. The full InChI is InChI=1S/C14H15N3O6/c1-14(12(21)17(6-11(19)20)13(22)16-14)8-2-4-9(5-3-8)23-7-10(15)18/h2-5H,6-7H2,1H3,(H2,15,18)(H,16,22)(H,19,20)/p-1/t14-/m0/s1.
What are the key properties of 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 320.28 g/mol, XLogP of -1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 2534969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).