N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide

C9H20N2O6 — CID 23193776

IUPACN-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESNCCCNC(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C9H20N2O6/c10-2-1-3-11-9(17)8(16)7(15)6(14)5(13)4-12/h5-8,12-16H,1-4,10H2,(H,11,17)
InChIKeyWANUZURDHBNKFN-UHFFFAOYSA-N
MW252.27 g/mol
LogP-4.11
Rot. Bonds8

About N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide

N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 23193776) has the molecular formula C9H20N2O6 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID23193776
Molecular FormulaC9H20N2O6
Molecular Weight252.27 g/mol
Exact Mass252.13
IUPAC NameN-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
SMILESNCCCNC(=O)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C9H20N2O6/c10-2-1-3-11-9(17)8(16)7(15)6(14)5(13)4-12/h5-8,12-16H,1-4,10H2,(H,11,17)
InChIKeyWANUZURDHBNKFN-UHFFFAOYSA-N
XLogP-4.11
TPSA156.27 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.27
LogP ≤ 5-4.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863
(2R,3S,4R,5R)-N-(5-aminopentyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 102510568
N-(4-aminobutyl)-2,3,4,5,6,7,8-heptahydroxyoctanamide
CID 88861881
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-triethoxysilylpropyl)hexanamide
CID 60622991
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
CID 135157558
(2R,3S,4S,5S)-6-(4-aminobutylamino)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 10564681
(2S,3R,4S,5R)-N,N'-bis(2-aminoethyl)-2,3,4,5-tetrahydroxyhexanediamide
CID 59188977

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide (CID 23193776) is N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide is NCCCNC(=O)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is WANUZURDHBNKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O6/c10-2-1-3-11-9(17)8(16)7(15)6(14)5(13)4-12/h5-8,12-16H,1-4,10H2,(H,11,17).
What are the key properties of N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide?
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 252.27 g/mol, XLogP of -4.11, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 23193776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).