2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid

C12H12N2O5 — CID 124523212

IUPAC2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid
SMILESC[C@@]1(c2ccc(OCC(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O5/c1-12(10(17)13-11(18)14-12)7-2-4-8(5-3-7)19-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,18)/t12-/m0/s1
InChIKeyHIADXVDECGUWJV-LBPRGKRZSA-N
MW264.24 g/mol
LogP0.20
Rot. Bonds4

About 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid

2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid (PubChem CID 124523212) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid
PubChem CID124523212
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid
SMILESC[C@@]1(c2ccc(OCC(=O)O)cc2)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O5/c1-12(10(17)13-11(18)14-12)7-2-4-8(5-3-7)19-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,18)/t12-/m0/s1
InChIKeyHIADXVDECGUWJV-LBPRGKRZSA-N
XLogP0.20
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 2385071
5-methyl-5-[4-(5-methylhexoxy)phenyl]imidazolidine-2,4-dione
CID 3324909
(5S)-5-(4-tert-butylphenyl)-5-methylimidazolidine-2,4-dione
CID 2387110
4-[[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]butanoic acid
CID 129467405
2-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 134494418
2-[4-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)phenoxy]acetic acid
CID 79874923
N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide
CID 6991484
2-[(4S)-4-[4-(2-amino-2-oxoethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 2534969
(2S)-4-methyl-2-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 119360981
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)-2-(trifluoromethyl)benzoic acid
CID 134494746

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid (CID 124523212) is 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid is C[C@@]1(c2ccc(OCC(=O)O)cc2)NC(=O)NC1=O.
What is the InChIKey of 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid?
The InChIKey is HIADXVDECGUWJV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-12(10(17)13-11(18)14-12)7-2-4-8(5-3-7)19-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,13,14,17,18)/t12-/m0/s1.
What are the key properties of 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid?
2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid has a molecular weight of 264.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 124523212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).