3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid

C14H18N2O3 — CID 116982137

IUPAC3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(c2ccccc2)N(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-10(8-13(17)18)16-9-12(15(2)14(16)19)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)
InChIKeySMTVLDLDMANNFW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.96
Rot. Bonds4

About 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid

3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid (PubChem CID 116982137) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid
PubChem CID116982137
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CC(c2ccccc2)N(C)C1=O
InChIInChI=1S/C14H18N2O3/c1-10(8-13(17)18)16-9-12(15(2)14(16)19)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)
InChIKeySMTVLDLDMANNFW-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-methyl-2-oxo-4-(1H-pyrrol-3-yl)imidazolidin-1-yl]butanoic acid
CID 116982139
1-(1-aminopropan-2-yl)-4-(4-ethylphenyl)-3-methylimidazolidin-2-one
CID 116981276
2-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)acetonitrile
CID 116982437
1-(1-aminopropan-2-yl)-4-(3,4-dimethylphenyl)-3-methylimidazolidin-2-one
CID 116981277
1-(3-aminopropyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981434
3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid
CID 116979672
3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
(4R)-1-[(2S)-1-methoxypropan-2-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
CID 141171775
tert-butyl 4-[3-[(2S)-1-methoxypropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidine-1-carboxylate
CID 69494076
8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
CID 70520475
1-(4-aminophenyl)-3-methyl-4-phenylimidazolidin-2-one
CID 116981888

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid?
The IUPAC name of 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid (CID 116982137) is 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid is CC(CC(=O)O)N1CC(c2ccccc2)N(C)C1=O.
What is the InChIKey of 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid?
The InChIKey is SMTVLDLDMANNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(8-13(17)18)16-9-12(15(2)14(16)19)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid?
3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-4-phenylimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 116982137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).