ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate

C10H15N3O5 — CID 118369795

IUPACethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate
SMILESCCOC(=O)[C@@H](O)CCc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-2-18-9(17)6(14)4-3-5-7(15)12-10(11)13-8(5)16/h6,14H,2-4H2,1H3,(H4,11,12,13,15,16)/t6-/m0/s1
InChIKeyUGLAYIAUAXAHSB-LURJTMIESA-N
MW257.25 g/mol
LogP-1.09
Rot. Bonds5

About ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate

ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate (PubChem CID 118369795) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate
PubChem CID118369795
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Nameethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate
SMILESCCOC(=O)[C@@H](O)CCc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C10H15N3O5/c1-2-18-9(17)6(14)4-3-5-7(15)12-10(11)13-8(5)16/h6,14H,2-4H2,1H3,(H4,11,12,13,15,16)/t6-/m0/s1
InChIKeyUGLAYIAUAXAHSB-LURJTMIESA-N
XLogP-1.09
TPSA138.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate with MolForge

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Related Compounds

5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid
CID 13268987
4-[3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propyl]benzoic acid
CID 3382960
2,4-diamino-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135493668
ethyl 2-hydroxyheptanoate
CID 12743783
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
2-amino-4-hydroxy-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
CID 905989
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63556056
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
CID 136955171
ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)propylsulfanyl]benzoate
CID 135976864

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate?
The IUPAC name of ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate (CID 118369795) is ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate.
What is the SMILES notation for ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate?
The canonical SMILES for ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate is CCOC(=O)[C@@H](O)CCc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate?
The InChIKey is UGLAYIAUAXAHSB-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O5/c1-2-18-9(17)6(14)4-3-5-7(15)12-10(11)13-8(5)16/h6,14H,2-4H2,1H3,(H4,11,12,13,15,16)/t6-/m0/s1.
What are the key properties of ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate?
ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate has a molecular weight of 257.25 g/mol, XLogP of -1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxybutanoate is sourced from PubChem (CID 118369795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).