(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid

C10H15N3O4 — CID 175798322

IUPAC(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(2)3-6(9(15)16)12-7-4-11-10(17)13-8(7)14/h4-6,12H,3H2,1-2H3,(H,15,16)(H2,11,13,14,17)/t6-/m0/s1
InChIKeyDTNLOATYLVUQEJ-LURJTMIESA-N
MW241.25 g/mol
LogP-0.03
Rot. Bonds5

About (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid

(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid (PubChem CID 175798322) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
PubChem CID175798322
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-5(2)3-6(9(15)16)12-7-4-11-10(17)13-8(7)14/h4-6,12H,3H2,1-2H3,(H,15,16)(H2,11,13,14,17)/t6-/m0/s1
InChIKeyDTNLOATYLVUQEJ-LURJTMIESA-N
XLogP-0.03
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic 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-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid (CID 175798322) is (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid is CC(C)C[C@H](Nc1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid?
The InChIKey is DTNLOATYLVUQEJ-LURJTMIESA-N. The full InChI is InChI=1S/C10H15N3O4/c1-5(2)3-6(9(15)16)12-7-4-11-10(17)13-8(7)14/h4-6,12H,3H2,1-2H3,(H,15,16)(H2,11,13,14,17)/t6-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid?
(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 175798322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).