(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid

C11H17N5O4 — CID 91341118

IUPAC(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-5(2)4-6(10(18)19)13-11-14-8(12)7(15-20)9(17)16(11)3/h5-6H,4,12H2,1-3H3,(H,13,14)(H,18,19)/t6-/m0/s1
InChIKeyZVXHATPMCHVBGF-LURJTMIESA-N
MW283.29 g/mol
LogP0.67
Rot. Bonds6

About (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid

(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid (PubChem CID 91341118) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid
PubChem CID91341118
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-5(2)4-6(10(18)19)13-11-14-8(12)7(15-20)9(17)16(11)3/h5-6H,4,12H2,1-3H3,(H,13,14)(H,18,19)/t6-/m0/s1
InChIKeyZVXHATPMCHVBGF-LURJTMIESA-N
XLogP0.67
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-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-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid (CID 91341118) is (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid is CC(C)C[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is ZVXHATPMCHVBGF-LURJTMIESA-N. The full InChI is InChI=1S/C11H17N5O4/c1-5(2)4-6(10(18)19)13-11-14-8(12)7(15-20)9(17)16(11)3/h5-6H,4,12H2,1-3H3,(H,13,14)(H,18,19)/t6-/m0/s1.
What are the key properties of (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid?
(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 283.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 91341118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).