N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide

C8H16N2O5 — CID 140531712

IUPACN'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide
SMILESCCC(=O)NNCC(=O)C(O)C(O)CO
InChIInChI=1S/C8H16N2O5/c1-2-7(14)10-9-3-5(12)8(15)6(13)4-11/h6,8-9,11,13,15H,2-4H2,1H3,(H,10,14)
InChIKeyGVLFMEYFEUGWJB-UHFFFAOYSA-N
MW220.22 g/mol
LogP-2.70
Rot. Bonds7

About N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide

N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide (PubChem CID 140531712) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide.

Molecular Properties

Compound NameN'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide
PubChem CID140531712
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC NameN'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide
SMILESCCC(=O)NNCC(=O)C(O)C(O)CO
InChIInChI=1S/C8H16N2O5/c1-2-7(14)10-9-3-5(12)8(15)6(13)4-11/h6,8-9,11,13,15H,2-4H2,1H3,(H,10,14)
InChIKeyGVLFMEYFEUGWJB-UHFFFAOYSA-N
XLogP-2.70
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-3,4,5-trihydroxy-1-methoxypentan-2-one
CID 90002690
2-(dimethylamino)-N-(3,4,5-trihydroxy-2-oxopentyl)propanamide
CID 156664659
N-(1,2,3,4,7,8,9-heptahydroxy-6-oxononan-5-yl)propanamide
CID 90896461
(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885
(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 90469716
phosphane;1,3,4,5-tetrahydroxypentan-2-one
CID 170344505
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
CID 18658603
(3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(methylamino)hexan-2-one
CID 14806557
[(3S,4R)-3,4,5-trihydroxy-2-oxopentyl] 2-aminoacetate
CID 91456041
(3S)-1,2,3-trihydroxynonadecan-4-one
CID 87183242
(2R,3S)-1,2,3-trihydroxynonadecan-4-one
CID 129379360
(2R,3R)-1,2,3-trihydroxynonadecan-4-one
CID 129379361

Frequently Asked Questions

What is the IUPAC name of N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide?
The IUPAC name of N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide (CID 140531712) is N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide.
What is the SMILES notation for N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide?
The canonical SMILES for N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide is CCC(=O)NNCC(=O)C(O)C(O)CO.
What is the InChIKey of N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide?
The InChIKey is GVLFMEYFEUGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-2-7(14)10-9-3-5(12)8(15)6(13)4-11/h6,8-9,11,13,15H,2-4H2,1H3,(H,10,14).
What are the key properties of N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide?
N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide has a molecular weight of 220.22 g/mol, XLogP of -2.70, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide is sourced from PubChem (CID 140531712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).