3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid

C16H20N2O4 — CID 155352899

IUPAC3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid
SMILESO=C(O)C(CC1CC1)N1CCN(OCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O4/c19-15(20)14(10-12-6-7-12)17-8-9-18(16(17)21)22-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,20)
InChIKeyNOVQMOQTVWDSEN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.11
Rot. Bonds7

About 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid

3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid (PubChem CID 155352899) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid
PubChem CID155352899
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid
SMILESO=C(O)C(CC1CC1)N1CCN(OCc2ccccc2)C1=O
InChIInChI=1S/C16H20N2O4/c19-15(20)14(10-12-6-7-12)17-8-9-18(16(17)21)22-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,20)
InChIKeyNOVQMOQTVWDSEN-UHFFFAOYSA-N
XLogP2.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-2-[5-oxo-3-(2-phenylmethoxyphenoxy)-2H-pyrrol-1-yl]propanoic acid
CID 67504637
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
benzyl (3S)-3-amino-4-cyclohexyl-2-oxobutanoate
CID 175973508
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide
CID 135242988
3-cyclohexyl-2-(3-oxo-1H-isoindol-2-yl)propanoic acid
CID 3571092
3-(2-methylpropanethioyl)-1-phenylmethoxypyrrolidin-2-one
CID 156716509
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
CID 69151134
(2S)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-3-phenylmethoxypropanoic acid
CID 168661836
4-cyclopropyl-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoic acid
CID 69295761

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid (CID 155352899) is 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid is O=C(O)C(CC1CC1)N1CCN(OCc2ccccc2)C1=O.
What is the InChIKey of 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid?
The InChIKey is NOVQMOQTVWDSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(20)14(10-12-6-7-12)17-8-9-18(16(17)21)22-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,19,20).
What are the key properties of 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid?
3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid has a molecular weight of 304.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 155352899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).