N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide

C9H18N2O5 — CID 131852383

IUPACN-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide
SMILESCC(=O)NC(NC(C)=O)[C@H](O)[C@@H](O)[C@H](C)O
InChIInChI=1S/C9H18N2O5/c1-4(12)7(15)8(16)9(10-5(2)13)11-6(3)14/h4,7-9,12,15-16H,1-3H3,(H,10,13)(H,11,14)/t4-,7-,8+/m0/s1
InChIKeySLZUHLYCZMWBOR-ZQASAOEGSA-N
MW234.25 g/mol
LogP-2.31
Rot. Bonds5

About N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide

N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide (PubChem CID 131852383) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide
PubChem CID131852383
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC NameN-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide
SMILESCC(=O)NC(NC(C)=O)[C@H](O)[C@@H](O)[C@H](C)O
InChIInChI=1S/C9H18N2O5/c1-4(12)7(15)8(16)9(10-5(2)13)11-6(3)14/h4,7-9,12,15-16H,1-3H3,(H,10,13)(H,11,14)/t4-,7-,8+/m0/s1
InChIKeySLZUHLYCZMWBOR-ZQASAOEGSA-N
XLogP-2.31
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
N-(1-fluoroethyl)acetamide
CID 123354067
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
N-[(4S,5R,6R)-4,5,6-trihydroxy-2-oxoheptan-3-yl]oxyacetamide
CID 91198097
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
heptane-2,3,4,5,6-pentol
CID 59809248
[(2S,3R,4S)-4-acetamido-2-hydroxy-6-oxohexan-3-yl] acetate
CID 131863910
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
methyl (2R,3R)-2-acetamido-3-hydroxybutanoate
CID 92981459

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide?
The IUPAC name of N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide (CID 131852383) is N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide.
What is the SMILES notation for N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide?
The canonical SMILES for N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide is CC(=O)NC(NC(C)=O)[C@H](O)[C@@H](O)[C@H](C)O.
What is the InChIKey of N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide?
The InChIKey is SLZUHLYCZMWBOR-ZQASAOEGSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-4(12)7(15)8(16)9(10-5(2)13)11-6(3)14/h4,7-9,12,15-16H,1-3H3,(H,10,13)(H,11,14)/t4-,7-,8+/m0/s1.
What are the key properties of N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide?
N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide has a molecular weight of 234.25 g/mol, XLogP of -2.31, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4S)-1-acetamido-2,3,4-trihydroxypentyl]acetamide is sourced from PubChem (CID 131852383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).