2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid

C12H15FN4O3 — CID 140625295

IUPAC2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
SMILESCC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)O
InChIInChI=1S/C12H15FN4O3/c1-7(2)9-5-17(11-14-3-8(13)4-15-11)12(20)16(9)6-10(18)19/h3-4,7,9H,5-6H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyUECNKTYRXAXUHY-SECBINFHSA-N
MW282.28 g/mol
LogP0.97
Rot. Bonds4

About 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid

2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid (PubChem CID 140625295) has the molecular formula C12H15FN4O3 and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
PubChem CID140625295
Molecular FormulaC12H15FN4O3
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC Name2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
SMILESCC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)O
InChIInChI=1S/C12H15FN4O3/c1-7(2)9-5-17(11-14-3-8(13)4-15-11)12(20)16(9)6-10(18)19/h3-4,7,9H,5-6H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyUECNKTYRXAXUHY-SECBINFHSA-N
XLogP0.97
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid with MolForge

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Related Compounds

2-[methyl-[5-[[(2S)-2-propylpyrrolidin-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 125445922
1,1-Dimethylethyl 1-(5-fluoro-2-pyrimidinyl)-3-methyl-2-oxo-4-imidazolidinecarboxylate
CID 67103191
1-(5-Fluoro-2-pyrimidinyl)-3-methyl-2-oxo-4-imidazolidinecarboxylic acid
CID 67103630
1-Tert-butyl-1-(5-fluoropyrimidin-2-yl)-3-methyl-2-oxoimidazolidin-1-ium-4-carboxylate
CID 87547409
1-(5-Fluoropyrimidin-2-yl)-3-methyl-1-(2-methylpropyl)-2-oxoimidazolidin-1-ium-4-carboxylate
CID 87547411
3-(5-Fluoropyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91127549
(4S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
CID 130469732
3-methyl-2-oxo-1-(2-pyrimidinyl)-4-imidazolidinecarboxylic acid TFA salt
CID 131728808
(4S)-3-methyl-2-oxo-1-(2-pyrimidinyl)-4-imidazolidinecarboxylic acid TFA salt
CID 131728809
3-(2-Chloro-5-fluoropyrimidin-4-yl)-1-methyl-4-propan-2-ylimidazolidin-2-one
CID 138555206
2-[2-Oxo-3-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-diazaspiro[4.5]decan-1-yl]acetic acid
CID 140248321
(4S)-1-(5-fluoropyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
CID 140625276

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid (CID 140625295) is 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid is CC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)O.
What is the InChIKey of 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The InChIKey is UECNKTYRXAXUHY-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN4O3/c1-7(2)9-5-17(11-14-3-8(13)4-15-11)12(20)16(9)6-10(18)19/h3-4,7,9H,5-6H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid has a molecular weight of 282.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 140625295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).