2-acetamido-3-(6-aminopurin-9-yl)propanoic acid

C10H12N6O3 — CID 64580913

IUPAC2-acetamido-3-(6-aminopurin-9-yl)propanoic acid
SMILESCC(=O)NC(Cn1cnc2c(N)ncnc21)C(=O)O
InChIInChI=1S/C10H12N6O3/c1-5(17)15-6(10(18)19)2-16-4-14-7-8(11)12-3-13-9(7)16/h3-4,6H,2H2,1H3,(H,15,17)(H,18,19)(H2,11,12,13)
InChIKeyRPCDSUQNPFPDPN-UHFFFAOYSA-N
MW264.25 g/mol
LogP-1.00
Rot. Bonds4

About 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid

2-acetamido-3-(6-aminopurin-9-yl)propanoic acid (PubChem CID 64580913) has the molecular formula C10H12N6O3 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(6-aminopurin-9-yl)propanoic acid
PubChem CID64580913
Molecular FormulaC10H12N6O3
Molecular Weight264.25 g/mol
Exact Mass264.10
IUPAC Name2-acetamido-3-(6-aminopurin-9-yl)propanoic acid
SMILESCC(=O)NC(Cn1cnc2c(N)ncnc21)C(=O)O
InChIInChI=1S/C10H12N6O3/c1-5(17)15-6(10(18)19)2-16-4-14-7-8(11)12-3-13-9(7)16/h3-4,6H,2H2,1H3,(H,15,17)(H,18,19)(H2,11,12,13)
InChIKeyRPCDSUQNPFPDPN-UHFFFAOYSA-N
XLogP-1.00
TPSA136.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-(6-aminopurin-9-yl)propanoic acid
CID 24832821
[2-[(6-aminopurin-9-yl)methoxy]-3-methoxycarbonyloxypropyl] methyl carbonate
CID 70449513
(E)-5-(6-aminopurin-9-yl)pent-3-en-2-one
CID 71531295
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;oxalic acid
CID 56961670
1-[2-aminoethyl-[2-(6-aminopurin-9-yl)-1-hydroxyethyl]amino]propan-2-one
CID 143306855
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl]phosphonic acid
CID 135336572
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid (CID 64580913) is 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid is CC(=O)NC(Cn1cnc2c(N)ncnc21)C(=O)O.
What is the InChIKey of 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid?
The InChIKey is RPCDSUQNPFPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-5(17)15-6(10(18)19)2-16-4-14-7-8(11)12-3-13-9(7)16/h3-4,6H,2H2,1H3,(H,15,17)(H,18,19)(H2,11,12,13).
What are the key properties of 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid?
2-acetamido-3-(6-aminopurin-9-yl)propanoic acid has a molecular weight of 264.25 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(6-aminopurin-9-yl)propanoic acid is sourced from PubChem (CID 64580913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).