3-amino-N-(6-amino-7H-purin-2-yl)propanamide

C8H11N7O — CID 140616343

IUPAC3-amino-N-(6-amino-7H-purin-2-yl)propanamide
SMILESNCCC(=O)Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C8H11N7O/c9-2-1-4(16)13-8-14-6(10)5-7(15-8)12-3-11-5/h3H,1-2,9H2,(H4,10,11,12,13,14,15,16)
InChIKeyZHKROGVSFMDNKE-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.78
Rot. Bonds3

About 3-amino-N-(6-amino-7H-purin-2-yl)propanamide

3-amino-N-(6-amino-7H-purin-2-yl)propanamide (PubChem CID 140616343) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-amino-N-(6-amino-7H-purin-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(6-amino-7H-purin-2-yl)propanamide
PubChem CID140616343
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-amino-N-(6-amino-7H-purin-2-yl)propanamide
SMILESNCCC(=O)Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C8H11N7O/c9-2-1-4(16)13-8-14-6(10)5-7(15-8)12-3-11-5/h3H,1-2,9H2,(H4,10,11,12,13,14,15,16)
InChIKeyZHKROGVSFMDNKE-UHFFFAOYSA-N
XLogP-0.78
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-amino-7H-purin-2-yl)propanamide?
The IUPAC name of 3-amino-N-(6-amino-7H-purin-2-yl)propanamide (CID 140616343) is 3-amino-N-(6-amino-7H-purin-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-(6-amino-7H-purin-2-yl)propanamide?
The canonical SMILES for 3-amino-N-(6-amino-7H-purin-2-yl)propanamide is NCCC(=O)Nc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 3-amino-N-(6-amino-7H-purin-2-yl)propanamide?
The InChIKey is ZHKROGVSFMDNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c9-2-1-4(16)13-8-14-6(10)5-7(15-8)12-3-11-5/h3H,1-2,9H2,(H4,10,11,12,13,14,15,16).
What are the key properties of 3-amino-N-(6-amino-7H-purin-2-yl)propanamide?
3-amino-N-(6-amino-7H-purin-2-yl)propanamide has a molecular weight of 221.22 g/mol, XLogP of -0.78, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-amino-7H-purin-2-yl)propanamide is sourced from PubChem (CID 140616343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).