2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid

C16H20N2O4 — CID 94752250

IUPAC2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
SMILESCC[C@]1(c2ccc(C(C)C)cc2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C16H20N2O4/c1-4-16(12-7-5-11(6-8-12)10(2)3)14(21)18(9-13(19)20)15(22)17-16/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,20)/t16-/m1/s1
InChIKeyLDRSYGNBBCBDKT-MRXNPFEDSA-N
MW304.35 g/mol
LogP2.05
Rot. Bonds5

About 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid

2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid (PubChem CID 94752250) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
PubChem CID94752250
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
SMILESCC[C@]1(c2ccc(C(C)C)cc2)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C16H20N2O4/c1-4-16(12-7-5-11(6-8-12)10(2)3)14(21)18(9-13(19)20)15(22)17-16/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,20)/t16-/m1/s1
InChIKeyLDRSYGNBBCBDKT-MRXNPFEDSA-N
XLogP2.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
CID 75532094
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 18266833
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532088
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2584613
(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2582395
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 7179645
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179723

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid (CID 94752250) is 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid is CC[C@]1(c2ccc(C(C)C)cc2)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid?
The InChIKey is LDRSYGNBBCBDKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-16(12-7-5-11(6-8-12)10(2)3)14(21)18(9-13(19)20)15(22)17-16/h5-8,10H,4,9H2,1-3H3,(H,17,22)(H,19,20)/t16-/m1/s1.
What are the key properties of 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid?
2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-ethyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid is sourced from PubChem (CID 94752250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).