(2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid

C15H24N4O4 — CID 138741417

IUPAC(2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid
SMILESCc1cc(=O)[nH]c(NC(=O)CCCCCCC[C@H](N)C(=O)O)n1
InChIInChI=1S/C15H24N4O4/c1-10-9-13(21)19-15(17-10)18-12(20)8-6-4-2-3-5-7-11(16)14(22)23/h9,11H,2-8,16H2,1H3,(H,22,23)(H2,17,18,19,20,21)/t11-/m0/s1
InChIKeyCUBRUPQZRBYMOH-NSHDSACASA-N
MW324.38 g/mol
LogP1.16
Rot. Bonds10

About (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid

(2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid (PubChem CID 138741417) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid
PubChem CID138741417
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid
SMILESCc1cc(=O)[nH]c(NC(=O)CCCCCCC[C@H](N)C(=O)O)n1
InChIInChI=1S/C15H24N4O4/c1-10-9-13(21)19-15(17-10)18-12(20)8-6-4-2-3-5-7-11(16)14(22)23/h9,11H,2-8,16H2,1H3,(H,22,23)(H2,17,18,19,20,21)/t11-/m0/s1
InChIKeyCUBRUPQZRBYMOH-NSHDSACASA-N
XLogP1.16
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid?
The IUPAC name of (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid (CID 138741417) is (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid.
What is the SMILES notation for (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid?
The canonical SMILES for (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid is Cc1cc(=O)[nH]c(NC(=O)CCCCCCC[C@H](N)C(=O)O)n1.
What is the InChIKey of (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid?
The InChIKey is CUBRUPQZRBYMOH-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O4/c1-10-9-13(21)19-15(17-10)18-12(20)8-6-4-2-3-5-7-11(16)14(22)23/h9,11H,2-8,16H2,1H3,(H,22,23)(H2,17,18,19,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid?
(2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid has a molecular weight of 324.38 g/mol, XLogP of 1.16, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-10-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-10-oxodecanoic acid is sourced from PubChem (CID 138741417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).