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

C8H10KN5O4 — CID 23671308

IUPACpotassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate
SMILESC[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)[O-].[K+]
InChIInChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/q;+1/p-1/t3-;/m0./s1
InChIKeyXYEVYFGGMPCSTC-DFWYDOINSA-M
MW279.30 g/mol
LogP-4.69
Rot. Bonds4

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

potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate (PubChem CID 23671308) has the molecular formula C8H10KN5O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Namepotassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate
PubChem CID23671308
Molecular FormulaC8H10KN5O4
Molecular Weight279.30 g/mol
Exact Mass279.04
IUPAC Namepotassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate
SMILESC[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)[O-].[K+]
InChIInChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/q;+1/p-1/t3-;/m0./s1
InChIKeyXYEVYFGGMPCSTC-DFWYDOINSA-M
XLogP-4.69
TPSA142.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-4.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate with MolForge

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Related Compounds

N-(6-amino-3-methyl-5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)alanine
CID 6712239
N-(6-amino-3-methyl-5-nitroso-4-oxo-3,4-dihydropyrimidin-2-yl)glycine
CID 402907
(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 54155957
N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinate
CID 101117450
N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycine Dihydrate
CID 139055557
2-[(4-Amino-1-methyl-5-nitroso-6-oxo-pyrimidin-2-yl)amino]propanoic acid
CID 378837
potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoic acid
CID 54602106
2-[(4-Amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 403822
2-[(4-Amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]-3-hydroxypropanoic acid
CID 403823
CID 6331251
CID 6331251
CID 11970071
CID 11970071
2-[(4-Amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate
CID 21598499

Frequently Asked Questions

What is the IUPAC name of potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate?
The IUPAC name of potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate (CID 23671308) is potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate?
The canonical SMILES for potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate is C[C@H](Nc1nc(N)c(N=O)c(=O)n1C)C(=O)[O-].[K+].
What is the InChIKey of potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate?
The InChIKey is XYEVYFGGMPCSTC-DFWYDOINSA-M. The full InChI is InChI=1S/C8H11N5O4.K/c1-3(7(15)16)10-8-11-5(9)4(12-17)6(14)13(8)2;/h3H,9H2,1-2H3,(H,10,11)(H,15,16);/q;+1/p-1/t3-;/m0./s1.
What are the key properties of potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate?
potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate has a molecular weight of 279.30 g/mol, XLogP of -4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 23671308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).