2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide

C15H23N7O4 — CID 126489225

IUPAC2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1C(O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
InChIInChI=1S/C15H23N7O4/c1-6(2)8(16)14(25)21-9-7(3-23)26-15(11(9)24)22-5-20-10-12(17)18-4-19-13(10)22/h4-9,11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8?,9?,11?,15-/m1/s1
InChIKeyMLCGOIANZDZFMK-AVQSHDPSSA-N
MW365.39 g/mol
LogP-1.87
Rot. Bonds5

About 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide

2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide (PubChem CID 126489225) has the molecular formula C15H23N7O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide
PubChem CID126489225
Molecular FormulaC15H23N7O4
Molecular Weight365.39 g/mol
Exact Mass365.18
IUPAC Name2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NC1C(O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO
InChIInChI=1S/C15H23N7O4/c1-6(2)8(16)14(25)21-9-7(3-23)26-15(11(9)24)22-5-20-10-12(17)18-4-19-13(10)22/h4-9,11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8?,9?,11?,15-/m1/s1
InChIKeyMLCGOIANZDZFMK-AVQSHDPSSA-N
XLogP-1.87
TPSA174.43 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
CID 126489267
(2S)-2-amino-N-[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-phenylpropanamide
CID 131876900
(2S)-2-amino-N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-6-(carbamoylamino)hexanamide
CID 101288446
(2R)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide
CID 101259169
(2S,3S)-2-amino-N-[(2S)-1-[[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]amino]-1-oxopropan-2-yl]-3-methylpentanamide
CID 102086043
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide (CID 126489225) is 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide is CC(C)C(N)C(=O)NC1C(O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO.
What is the InChIKey of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide?
The InChIKey is MLCGOIANZDZFMK-AVQSHDPSSA-N. The full InChI is InChI=1S/C15H23N7O4/c1-6(2)8(16)14(25)21-9-7(3-23)26-15(11(9)24)22-5-20-10-12(17)18-4-19-13(10)22/h4-9,11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8?,9?,11?,15-/m1/s1.
What are the key properties of 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide?
2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide has a molecular weight of 365.39 g/mol, XLogP of -1.87, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-methylbutanamide is sourced from PubChem (CID 126489225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).