(2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid

C10H15N5O4 — CID 135860688

IUPAC(2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](Nc1nc(N)[nH]c(=O)c1N=O)C(=O)O
InChIInChI=1S/C10H15N5O4/c1-3-4(2)5(9(17)18)12-7-6(15-19)8(16)14-10(11)13-7/h4-5H,3H2,1-2H3,(H,17,18)(H4,11,12,13,14,16)/t4-,5-/m0/s1
InChIKeyWERMMMRUPJZCHM-WHFBIAKZSA-N
MW269.26 g/mol
LogP0.66
Rot. Bonds6

About (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid (PubChem CID 135860688) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid
PubChem CID135860688
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](Nc1nc(N)[nH]c(=O)c1N=O)C(=O)O
InChIInChI=1S/C10H15N5O4/c1-3-4(2)5(9(17)18)12-7-6(15-19)8(16)14-10(11)13-7/h4-5H,3H2,1-2H3,(H,17,18)(H4,11,12,13,14,16)/t4-,5-/m0/s1
InChIKeyWERMMMRUPJZCHM-WHFBIAKZSA-N
XLogP0.66
TPSA150.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-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,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid (CID 135860688) is (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](Nc1nc(N)[nH]c(=O)c1N=O)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid?
The InChIKey is WERMMMRUPJZCHM-WHFBIAKZSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-3-4(2)5(9(17)18)12-7-6(15-19)8(16)14-10(11)13-7/h4-5H,3H2,1-2H3,(H,17,18)(H4,11,12,13,14,16)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid has a molecular weight of 269.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2-amino-5-nitroso-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 135860688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).