N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide

C9H19NO5 — CID 89219701

IUPACN-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide
SMILESCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C9H19NO5/c1-2-8(14)10-5-7(13)9(15)6(12)3-4-11/h6-7,9,11-13,15H,2-5H2,1H3,(H,10,14)/t6-,7+,9+/m1/s1
InChIKeyUMAVCCWGQZNONR-FJXKBIBVSA-N
MW221.25 g/mol
LogP-2.02
Rot. Bonds7

About N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide

N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide (PubChem CID 89219701) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide.

Molecular Properties

Compound NameN-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide
PubChem CID89219701
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC NameN-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide
SMILESCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C9H19NO5/c1-2-8(14)10-5-7(13)9(15)6(12)3-4-11/h6-7,9,11-13,15H,2-5H2,1H3,(H,10,14)/t6-,7+,9+/m1/s1
InChIKeyUMAVCCWGQZNONR-FJXKBIBVSA-N
XLogP-2.02
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide 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

N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
6-(2,3,4,6-tetrahydroxyhexylamino)hexane-1,3,4,5-tetrol
CID 171850439
(3R,4S)-6-(propan-2-ylamino)hexane-1,3,4,5-tetrol
CID 156749443
octane-1,3,4,5-tetrol
CID 18506400
(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
CID 160566842
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
N-(2-bromopropyl)propanamide
CID 87559070
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
(2S)-2-methyl-N-[(2R)-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]-N'-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 91616464
2-amino-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyheptyl]amino]butanoic acid
CID 157157013

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide?
The IUPAC name of N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide (CID 89219701) is N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide.
What is the SMILES notation for N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide?
The canonical SMILES for N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide is CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)CCO.
What is the InChIKey of N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide?
The InChIKey is UMAVCCWGQZNONR-FJXKBIBVSA-N. The full InChI is InChI=1S/C9H19NO5/c1-2-8(14)10-5-7(13)9(15)6(12)3-4-11/h6-7,9,11-13,15H,2-5H2,1H3,(H,10,14)/t6-,7+,9+/m1/s1.
What are the key properties of N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide?
N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide has a molecular weight of 221.25 g/mol, XLogP of -2.02, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]propanamide is sourced from PubChem (CID 89219701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).