(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid

C14H18N2O4 — CID 89169658

IUPAC(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
SMILESC[C@@H]1CN([C@@H](C)C(=O)O)C(=O)N1OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10-8-15(11(2)13(17)18)14(19)16(10)20-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyKWRJQQKZCBKPJP-MNOVXSKESA-N
MW278.31 g/mol
LogP1.72
Rot. Bonds5

About (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid

(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid (PubChem CID 89169658) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
PubChem CID89169658
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
SMILESC[C@@H]1CN([C@@H](C)C(=O)O)C(=O)N1OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10-8-15(11(2)13(17)18)14(19)16(10)20-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyKWRJQQKZCBKPJP-MNOVXSKESA-N
XLogP1.72
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
(2S)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
CID 89169654
(2S,5R)-2-(2-hydroxyacetyl)-6-phenylmethoxyspiro[1,6-diazabicyclo[3.2.1]octane-4,1'-cyclopropane]-7-one
CID 139359935
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
5-methyl-3-phenylmethoxy-2-propan-2-yl-1,3-thiazolidin-4-one
CID 141490846
(4R,5S)-5-methyl-4-(2-methylpropyl)-3-phenylmethoxy-1,3-oxazolidin-2-one
CID 131848700
tert-butyl 7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
CID 67979908
3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid
CID 155352899
(2S,5R)-2-(dichloromethyl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346776
ethane;methyl formate;6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144936982

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid (CID 89169658) is (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid is C[C@@H]1CN([C@@H](C)C(=O)O)C(=O)N1OCc1ccccc1.
What is the InChIKey of (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid?
The InChIKey is KWRJQQKZCBKPJP-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-8-15(11(2)13(17)18)14(19)16(10)20-9-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid?
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 89169658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).