2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid

C11H15N3O6 — CID 54094073

IUPAC2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid
SMILESCc1cn([C@@H]2O[C@H](C(O)C(=O)O)CC2N)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6/c1-4-3-14(11(19)13-8(4)16)9-5(12)2-6(20-9)7(15)10(17)18/h3,5-7,9,15H,2,12H2,1H3,(H,17,18)(H,13,16,19)/t5?,6-,7?,9+/m0/s1
InChIKeyMVVXPBOWAXXZTD-GXWNKQJMSA-N
MW285.26 g/mol
LogP-2.09
Rot. Bonds3

About 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid

2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid (PubChem CID 54094073) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid
PubChem CID54094073
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid
SMILESCc1cn([C@@H]2O[C@H](C(O)C(=O)O)CC2N)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6/c1-4-3-14(11(19)13-8(4)16)9-5(12)2-6(20-9)7(15)10(17)18/h3,5-7,9,15H,2,12H2,1H3,(H,17,18)(H,13,16,19)/t5?,6-,7?,9+/m0/s1
InChIKeyMVVXPBOWAXXZTD-GXWNKQJMSA-N
XLogP-2.09
TPSA147.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid with MolForge

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Related Compounds

1-[(2R,4R,5R)-4-amino-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3000338
2-[(2R,3S,5R)-3-amino-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid
CID 54257996
1-[(2R,3R,4R)-3-amino-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139122475
1-[(4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 118311659
1-[(2R,3R,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10490207
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
ethyl 3-[(2R,3S,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]propanoate
CID 54108692
2-[[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylsulfanyl]acetic acid
CID 102252166
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 12068040
(2R,3S,4R,5R)-4-amino-3-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 71530009
1-[(2R,4S,5S)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7272011

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid (CID 54094073) is 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid is Cc1cn([C@@H]2O[C@H](C(O)C(=O)O)CC2N)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid?
The InChIKey is MVVXPBOWAXXZTD-GXWNKQJMSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-4-3-14(11(19)13-8(4)16)9-5(12)2-6(20-9)7(15)10(17)18/h3,5-7,9,15H,2,12H2,1H3,(H,17,18)(H,13,16,19)/t5?,6-,7?,9+/m0/s1.
What are the key properties of 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid?
2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid has a molecular weight of 285.26 g/mol, XLogP of -2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-4-amino-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 54094073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).