7H-purin-6-yl 2-aminoacetate

C7H7N5O2 — CID 54229916

IUPAC7H-purin-6-yl 2-aminoacetate
SMILESNCC(=O)Oc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7N5O2/c8-1-4(13)14-7-5-6(10-2-9-5)11-3-12-7/h2-3H,1,8H2,(H,9,10,11,12)
InChIKeyQINKQADWHLPPTG-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.78
Rot. Bonds2

About 7H-purin-6-yl 2-aminoacetate

7H-purin-6-yl 2-aminoacetate (PubChem CID 54229916) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 7H-purin-6-yl 2-aminoacetate.

Molecular Properties

Compound Name7H-purin-6-yl 2-aminoacetate
PubChem CID54229916
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name7H-purin-6-yl 2-aminoacetate
SMILESNCC(=O)Oc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7N5O2/c8-1-4(13)14-7-5-6(10-2-9-5)11-3-12-7/h2-3H,1,8H2,(H,9,10,11,12)
InChIKeyQINKQADWHLPPTG-UHFFFAOYSA-N
XLogP-0.78
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7H-purin-6-yloxy)acetic acid
CID 114335218
7H-purin-6-yl 7H-purine-8-carboxylate
CID 70427194
6-prop-2-enoxy-7H-purine
CID 3816971
N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide
CID 20703019
6-[(2S)-butan-2-yl]oxy-7H-purine
CID 11819897
ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761
3-(7H-purin-6-yloxy)pyridine-2-carboxylic acid
CID 61396179
(2,2,2-trifluoroacetyl) (2S)-2-amino-3-(7H-purin-6-yl)propanoate
CID 87913178
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
3-(7H-purin-6-yloxy)cyclopentan-1-amine
CID 79465933
methanol;7H-purin-6-amine
CID 67194832
tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium
CID 24751262

Frequently Asked Questions

What is the IUPAC name of 7H-purin-6-yl 2-aminoacetate?
The IUPAC name of 7H-purin-6-yl 2-aminoacetate (CID 54229916) is 7H-purin-6-yl 2-aminoacetate.
What is the SMILES notation for 7H-purin-6-yl 2-aminoacetate?
The canonical SMILES for 7H-purin-6-yl 2-aminoacetate is NCC(=O)Oc1ncnc2nc[nH]c12.
What is the InChIKey of 7H-purin-6-yl 2-aminoacetate?
The InChIKey is QINKQADWHLPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-1-4(13)14-7-5-6(10-2-9-5)11-3-12-7/h2-3H,1,8H2,(H,9,10,11,12).
What are the key properties of 7H-purin-6-yl 2-aminoacetate?
7H-purin-6-yl 2-aminoacetate has a molecular weight of 193.17 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purin-6-yl 2-aminoacetate is sourced from PubChem (CID 54229916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).