(2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid

C11H15N3O4 — CID 54990830

IUPAC(2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-5-8(6(2)14-11(18)13-5)4-9(15)12-7(3)10(16)17/h7H,4H2,1-3H3,(H,12,15)(H,16,17)(H,13,14,18)/t7-/m1/s1
InChIKeySSCLNJBIOBLCSU-SSDOTTSWSA-N
MW253.26 g/mol
LogP-0.48
Rot. Bonds4

About (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid

(2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid (PubChem CID 54990830) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
PubChem CID54990830
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-5-8(6(2)14-11(18)13-5)4-9(15)12-7(3)10(16)17/h7H,4H2,1-3H3,(H,12,15)(H,16,17)(H,13,14,18)/t7-/m1/s1
InChIKeySSCLNJBIOBLCSU-SSDOTTSWSA-N
XLogP-0.48
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid (CID 54990830) is (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
The InChIKey is SSCLNJBIOBLCSU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-5-8(6(2)14-11(18)13-5)4-9(15)12-7(3)10(16)17/h7H,4H2,1-3H3,(H,12,15)(H,16,17)(H,13,14,18)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 54990830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).