(2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid

C8H11N3O4S — CID 71367678

IUPAC(2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid
SMILESCn1cc(SC[C@H](N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4S/c1-11-2-5(6(12)10-8(11)15)16-3-4(9)7(13)14/h2,4H,3,9H2,1H3,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChIKeySFFCGRDIANKHKE-BYPYZUCNSA-N
MW245.26 g/mol
LogP-1.42
Rot. Bonds4

About (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid

(2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid (PubChem CID 71367678) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid
PubChem CID71367678
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name(2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid
SMILESCn1cc(SC[C@H](N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4S/c1-11-2-5(6(12)10-8(11)15)16-3-4(9)7(13)14/h2,4H,3,9H2,1H3,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChIKeySFFCGRDIANKHKE-BYPYZUCNSA-N
XLogP-1.42
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid (CID 71367678) is (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid is Cn1cc(SC[C@H](N)C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid?
The InChIKey is SFFCGRDIANKHKE-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-11-2-5(6(12)10-8(11)15)16-3-4(9)7(13)14/h2,4H,3,9H2,1H3,(H,13,14)(H,10,12,15)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid?
(2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid has a molecular weight of 245.26 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1-methyl-2,4-dioxopyrimidin-5-yl)sulfanylpropanoic acid is sourced from PubChem (CID 71367678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).