(2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid

C8H13N3O4 — CID 70044757

IUPAC(2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid
SMILESCC1=C(O)NC(=O)N(C[C@H](N)C(=O)O)C1
InChIInChI=1S/C8H13N3O4/c1-4-2-11(3-5(9)7(13)14)8(15)10-6(4)12/h5,12H,2-3,9H2,1H3,(H,10,15)(H,13,14)/t5-/m0/s1
InChIKeyAYRMREPVQQCBNE-YFKPBYRVSA-N
MW215.21 g/mol
LogP-0.79
Rot. Bonds3

About (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid

(2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid (PubChem CID 70044757) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid
PubChem CID70044757
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name(2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid
SMILESCC1=C(O)NC(=O)N(C[C@H](N)C(=O)O)C1
InChIInChI=1S/C8H13N3O4/c1-4-2-11(3-5(9)7(13)14)8(15)10-6(4)12/h5,12H,2-3,9H2,1H3,(H,10,15)(H,13,14)/t5-/m0/s1
InChIKeyAYRMREPVQQCBNE-YFKPBYRVSA-N
XLogP-0.79
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
CID 79936689
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
CID 138475703
(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid
CID 10398314
(2S)-2-aminobutanedioic acid;(2S)-2,4-diamino-4-oxobutanoic acid;pyrrolidine-2,5-dione
CID 69442862
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
(2S)-2-amino-6-(2,4-dioxo-1,3-diazinan-1-yl)hexanoic acid
CID 101112605
2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
CID 174877526
(2S)-2-amino-3-(6,6-dimethyl-2,4-dioxo-5,7-dihydrocyclopenta[d]pyrimidin-1-yl)propanoic acid
CID 24850231
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
(2S)-2-amino-3-hydroxypropanoic acid;pyrrole-2,5-dione
CID 160632774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid (CID 70044757) is (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid is CC1=C(O)NC(=O)N(C[C@H](N)C(=O)O)C1.
What is the InChIKey of (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid?
The InChIKey is AYRMREPVQQCBNE-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-4-2-11(3-5(9)7(13)14)8(15)10-6(4)12/h5,12H,2-3,9H2,1H3,(H,10,15)(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid?
(2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid has a molecular weight of 215.21 g/mol, XLogP of -0.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 70044757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).