N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide

C9H17N5O4 — CID 163445981

IUPACN-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide
SMILESCCC(=O)NC(=O)NC1CC(/N=N/N)C(CO)O1
InChIInChI=1S/C9H17N5O4/c1-2-7(16)11-9(17)12-8-3-5(13-14-10)6(4-15)18-8/h5-6,8,15H,2-4H2,1H3,(H2,10,13)(H2,11,12,16,17)
InChIKeyODPZHRGSZGTBEX-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.98
Rot. Bonds4

About N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide

N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide (PubChem CID 163445981) has the molecular formula C9H17N5O4 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide.

Molecular Properties

Compound NameN-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide
PubChem CID163445981
Molecular FormulaC9H17N5O4
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide
SMILESCCC(=O)NC(=O)NC1CC(/N=N/N)C(CO)O1
InChIInChI=1S/C9H17N5O4/c1-2-7(16)11-9(17)12-8-3-5(13-14-10)6(4-15)18-8/h5-6,8,15H,2-4H2,1H3,(H2,10,13)(H2,11,12,16,17)
InChIKeyODPZHRGSZGTBEX-UHFFFAOYSA-N
XLogP-0.98
TPSA138.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[amino-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoylamino]methylidene]formamide
CID 88554016
N-[(4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 122492503
N-[(3S,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 11845328
(E)-N-[4-amino-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-formamidoprop-2-enamide
CID 134268043
N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide;hydrochloride
CID 132775552
[(2R,5R)-5-(carbamoylamino)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 174069338
[3-(hydroxymethyl)oxiran-2-yl]methyl propanoate
CID 131856203
N-(3,4-dihydroxycyclopentyl)propanamide
CID 170769048
[5,10,15,20,25,30,35-heptakis(hydroxymethyl)-37,38,39,40,41,42,43,44,45,46,47,48,49-trideca(propanoyloxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36-yl] propanoate
CID 177477701
N-(3-aminocyclopentyl)propanamide
CID 83619264
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
methyl 2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(propanoylamino)oxan-2-yl]acetate
CID 54639335

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide?
The IUPAC name of N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide (CID 163445981) is N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide.
What is the SMILES notation for N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide?
The canonical SMILES for N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide is CCC(=O)NC(=O)NC1CC(/N=N/N)C(CO)O1.
What is the InChIKey of N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide?
The InChIKey is ODPZHRGSZGTBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4/c1-2-7(16)11-9(17)12-8-3-5(13-14-10)6(4-15)18-8/h5-6,8,15H,2-4H2,1H3,(H2,10,13)(H2,11,12,16,17).
What are the key properties of N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide?
N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide has a molecular weight of 259.27 g/mol, XLogP of -0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminodiazenyl)-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]propanamide is sourced from PubChem (CID 163445981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).