2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid

C8H12N6O3 — CID 174877526

IUPAC2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
SMILESNc1nc2c(c(=O)[nH]1)NCN2CC(N)C(=O)O
InChIInChI=1S/C8H12N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h3,11H,1-2,9H2,(H,16,17)(H3,10,12,13,15)
InChIKeyMUQRVBUGDRBILZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP-2.05
Rot. Bonds3

About 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid

2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid (PubChem CID 174877526) has the molecular formula C8H12N6O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
PubChem CID174877526
Molecular FormulaC8H12N6O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid
SMILESNc1nc2c(c(=O)[nH]1)NCN2CC(N)C(=O)O
InChIInChI=1S/C8H12N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h3,11H,1-2,9H2,(H,16,17)(H3,10,12,13,15)
InChIKeyMUQRVBUGDRBILZ-UHFFFAOYSA-N
XLogP-2.05
TPSA150.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid with MolForge

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Related Compounds

sodium;2-amino-9-[4-hydroxy-3,3-bis(hydroxymethyl)butyl]-7,8-dihydro-1H-purin-6-one;hydride
CID 173346472
2-amino-9-[hydroxy(3-hydroxypropoxy)methyl]-7,8-dihydro-1H-purin-6-one
CID 135668175
sodium;1-[(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)methoxymethoxy]ethylphosphonic acid;hydride
CID 173319638
2-[2-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)ethyl-(cyanomethyl)amino]ethylphosphonic acid
CID 136623179
2-(2-amino-6-sulfanylidene-7,8-dihydro-3H-purin-9-yl)acetic acid
CID 87275096
(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)phosphonic acid;1-methoxypropane
CID 135724745
2-amino-3-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)propanoic acid;dihydrochloride
CID 138987687
[(2S,3E,5R)-5-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-3-(hydroxymethylidene)oxolan-2-yl]methyl dihydrogen phosphite
CID 174014372
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
(2S)-2-amino-3-(6-hydroxy-5-methyl-2-oxo-1,4-dihydropyrimidin-3-yl)propanoic acid
CID 70044757
(2R)-2-amino-3-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanoic acid
CID 10398314
2-amino-3-(2,5-dioxo-4-propylpiperazin-1-yl)propanoic acid
CID 79936689

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid (CID 174877526) is 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid is Nc1nc2c(c(=O)[nH]1)NCN2CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid?
The InChIKey is MUQRVBUGDRBILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3/c9-3(7(16)17)1-14-2-11-4-5(14)12-8(10)13-6(4)15/h3,11H,1-2,9H2,(H,16,17)(H3,10,12,13,15).
What are the key properties of 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid?
2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid has a molecular weight of 240.22 g/mol, XLogP of -2.05, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanoic acid is sourced from PubChem (CID 174877526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).