2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid

C13H14N2O5 — CID 125296367

IUPAC2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCOc1ccccc1CN1C(=O)N[C@H](CC(=O)O)C1=O
InChIInChI=1S/C13H14N2O5/c1-20-10-5-3-2-4-8(10)7-15-12(18)9(6-11(16)17)14-13(15)19/h2-5,9H,6-7H2,1H3,(H,14,19)(H,16,17)/t9-/m1/s1
InChIKeyZPKAOBMXCUSFFX-SECBINFHSA-N
MW278.26 g/mol
LogP0.59
Rot. Bonds5

About 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid

2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid (PubChem CID 125296367) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
PubChem CID125296367
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
SMILESCOc1ccccc1CN1C(=O)N[C@H](CC(=O)O)C1=O
InChIInChI=1S/C13H14N2O5/c1-20-10-5-3-2-4-8(10)7-15-12(18)9(6-11(16)17)14-13(15)19/h2-5,9H,6-7H2,1H3,(H,14,19)(H,16,17)/t9-/m1/s1
InChIKeyZPKAOBMXCUSFFX-SECBINFHSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 75531804
(5R)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 124863296
(5S)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 91636915
3-[(2-methoxyphenyl)methyl]-5-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 91823594
2-[(4S)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 75489265
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871290
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124862016
N-[2-(dimethylamino)ethyl]-2-[(4S)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490917
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66069576
(5S)-5-[2-(3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl)-2-oxoethyl]-3-[(2-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 171157879
(1R,2S,6S,7S)-4-[(2-methoxyphenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6544546

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid (CID 125296367) is 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid is COc1ccccc1CN1C(=O)N[C@H](CC(=O)O)C1=O.
What is the InChIKey of 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid?
The InChIKey is ZPKAOBMXCUSFFX-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-20-10-5-3-2-4-8(10)7-15-12(18)9(6-11(16)17)14-13(15)19/h2-5,9H,6-7H2,1H3,(H,14,19)(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid?
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid has a molecular weight of 278.26 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetic acid is sourced from PubChem (CID 125296367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).