2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide

C15H22N6O5 — CID 137061818

IUPAC2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide
SMILESCCCC(N)C(=O)NC1C(O)[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO
InChIInChI=1S/C15H22N6O5/c1-2-3-7(16)13(24)20-9-8(4-22)26-15(11(9)23)21-6-19-10-12(21)17-5-18-14(10)25/h5-9,11,15,22-23H,2-4,16H2,1H3,(H,20,24)(H,17,18,25)/t7?,8-,9?,11?,15-/m1/s1
InChIKeyLVYUOFDOLUZLSE-ZQJDKANXSA-N
MW366.38 g/mol
LogP-2.02
Rot. Bonds6

About 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide

2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide (PubChem CID 137061818) has the molecular formula C15H22N6O5 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide
PubChem CID137061818
Molecular FormulaC15H22N6O5
Molecular Weight366.38 g/mol
Exact Mass366.17
IUPAC Name2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide
SMILESCCCC(N)C(=O)NC1C(O)[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO
InChIInChI=1S/C15H22N6O5/c1-2-3-7(16)13(24)20-9-8(4-22)26-15(11(9)23)21-6-19-10-12(21)17-5-18-14(10)25/h5-9,11,15,22-23H,2-4,16H2,1H3,(H,20,24)(H,17,18,25)/t7?,8-,9?,11?,15-/m1/s1
InChIKeyLVYUOFDOLUZLSE-ZQJDKANXSA-N
XLogP-2.02
TPSA168.38 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[(2S,4S,5R)-5-(4-amino-7-fluorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 59546498
2-amino-N-[(2S,3R,5R)-5-(4-amino-7-fluorobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]pentanamide
CID 58916096
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;ethane
CID 143728569
9-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135885678
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135992491
9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135928013
2-amino-N-[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropentanamide
CID 126489267
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;mercury
CID 175730179
9-[(2R,3S,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-1H-purin-6-one
CID 141261243
2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]hex-5-ynamide
CID 71576429
9-[(2R,3R,4S)-5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]-1H-purin-6-one
CID 138506458
copper;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;palladium
CID 136593515

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide?
The IUPAC name of 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide (CID 137061818) is 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide?
The canonical SMILES for 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide is CCCC(N)C(=O)NC1C(O)[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO.
What is the InChIKey of 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide?
The InChIKey is LVYUOFDOLUZLSE-ZQJDKANXSA-N. The full InChI is InChI=1S/C15H22N6O5/c1-2-3-7(16)13(24)20-9-8(4-22)26-15(11(9)23)21-6-19-10-12(21)17-5-18-14(10)25/h5-9,11,15,22-23H,2-4,16H2,1H3,(H,20,24)(H,17,18,25)/t7?,8-,9?,11?,15-/m1/s1.
What are the key properties of 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide?
2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide has a molecular weight of 366.38 g/mol, XLogP of -2.02, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]pentanamide is sourced from PubChem (CID 137061818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).