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

C13H18N4O4 — CID 140625290

IUPAC2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
SMILESCOc1cnc(N2C[C@H](C(C)C)N(CC(=O)O)C2=O)nc1
InChIInChI=1S/C13H18N4O4/c1-8(2)10-6-17(13(20)16(10)7-11(18)19)12-14-4-9(21-3)5-15-12/h4-5,8,10H,6-7H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyCQKLGAISVQLVKB-SNVBAGLBSA-N
MW294.31 g/mol
LogP0.84
Rot. Bonds5

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

2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid (PubChem CID 140625290) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
PubChem CID140625290
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
SMILESCOc1cnc(N2C[C@H](C(C)C)N(CC(=O)O)C2=O)nc1
InChIInChI=1S/C13H18N4O4/c1-8(2)10-6-17(13(20)16(10)7-11(18)19)12-14-4-9(21-3)5-15-12/h4-5,8,10H,6-7H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyCQKLGAISVQLVKB-SNVBAGLBSA-N
XLogP0.84
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 164629697
2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
CID 140625295
2-[(5S)-5-[(2S)-butan-2-yl]-3-(5-fluoropyrimidin-2-yl)-2-oxoimidazolidin-1-yl]acetic acid
CID 140625302
[7-(2-Methoxyethyl)-2,7-diazaspiro[3.4]octan-2-yl]-(5-methoxypyrimidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869316
Tert-butyl 3-(5-methoxypyrimidin-2-yl)pyrrolidine-1-carboxylate
CID 58171610
3-(5-Methoxypyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91413562
(4S)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
CID 140625284
2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid
CID 140625309
Tert-butyl-[(5-methoxypyrimidin-2-yl)methyl]carbamic acid
CID 155286035
tert-butyl N-[1-(5-hydroxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylcarbamate
CID 171498806
2-[(5-Methoxypyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 83839623
1-(5-Methoxypyrimidin-2-yl)-4-methylpyrrolidin-3-amine
CID 103577439

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid (CID 140625290) is 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid is COc1cnc(N2C[C@H](C(C)C)N(CC(=O)O)C2=O)nc1.
What is the InChIKey of 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
The InChIKey is CQKLGAISVQLVKB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8(2)10-6-17(13(20)16(10)7-11(18)19)12-14-4-9(21-3)5-15-12/h4-5,8,10H,6-7H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid?
2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(5-methoxypyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 140625290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).