(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid

C11H16N6O3S — CID 102020867

IUPAC(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid
SMILESNc1ncnc2c1ncn2COCCSC[C@H](N)C(=O)O
InChIInChI=1S/C11H16N6O3S/c12-7(11(18)19)3-21-2-1-20-6-17-5-16-8-9(13)14-4-15-10(8)17/h4-5,7H,1-3,6,12H2,(H,18,19)(H2,13,14,15)/t7-/m0/s1
InChIKeyCSNONLJCTFYVRS-ZETCQYMHSA-N
MW312.36 g/mol
LogP-0.47
Rot. Bonds8

About (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid

(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid (PubChem CID 102020867) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid
PubChem CID102020867
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid
SMILESNc1ncnc2c1ncn2COCCSC[C@H](N)C(=O)O
InChIInChI=1S/C11H16N6O3S/c12-7(11(18)19)3-21-2-1-20-6-17-5-16-8-9(13)14-4-15-10(8)17/h4-5,7H,1-3,6,12H2,(H,18,19)(H2,13,14,15)/t7-/m0/s1
InChIKeyCSNONLJCTFYVRS-ZETCQYMHSA-N
XLogP-0.47
TPSA142.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid with MolForge

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Related Compounds

9-(2-chloroethoxymethyl)purin-6-amine
CID 10013983
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562
2-[(6-aminopurin-9-yl)methoxy]ethyl sulfamate
CID 10424192
9-(2-prop-2-enoxyethoxymethyl)purin-6-amine
CID 10824507
(2S)-2-amino-3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propanoic acid
CID 90672628
2-acetyloxy-4-(6-aminopurin-9-yl)butanoic acid
CID 163729575
(2S)-2-amino-4-[[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
CID 54173585
[(E)-3-[(6-aminopurin-9-yl)methoxy]prop-1-enyl]phosphonic acid
CID 67880407
[2-[(6-aminopurin-9-yl)methoxy]-3-methoxycarbonyloxypropyl] methyl carbonate
CID 70449513
1-[(6-aminopurin-9-yl)methoxy]butan-2-yloxy-hydroxy-oxophosphanium
CID 173311728
2-[2-(6-aminopurin-9-yl)ethoxy]-2-diethylphosphanylacetic acid
CID 141002966
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid (CID 102020867) is (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid is Nc1ncnc2c1ncn2COCCSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid?
The InChIKey is CSNONLJCTFYVRS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N6O3S/c12-7(11(18)19)3-21-2-1-20-6-17-5-16-8-9(13)14-4-15-10(8)17/h4-5,7H,1-3,6,12H2,(H,18,19)(H2,13,14,15)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid?
(2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid has a molecular weight of 312.36 g/mol, XLogP of -0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-[(6-aminopurin-9-yl)methoxy]ethylsulfanyl]propanoic acid is sourced from PubChem (CID 102020867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).