2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide

C5H11NO5 — CID 141080027

IUPAC2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide
SMILESO=C(CO)NC(O)[C@@H](O)CO
InChIInChI=1S/C5H11NO5/c7-1-3(9)5(11)6-4(10)2-8/h3,5,7-9,11H,1-2H2,(H,6,10)/t3-,5?/m0/s1
InChIKeyJALMFQPHBJBDAI-WWLRPLJCSA-N
MW165.14 g/mol
LogP-3.23
Rot. Bonds4

About 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide

2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide (PubChem CID 141080027) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide
PubChem CID141080027
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide
SMILESO=C(CO)NC(O)[C@@H](O)CO
InChIInChI=1S/C5H11NO5/c7-1-3(9)5(11)6-4(10)2-8/h3,5,7-9,11H,1-2H2,(H,6,10)/t3-,5?/m0/s1
InChIKeyJALMFQPHBJBDAI-WWLRPLJCSA-N
XLogP-3.23
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-3.23
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

1-(2-hydroxyethylamino)propane-1,2,3-triol
CID 156780277
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602
N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide
CID 141010721
2-hydroxy-N-sulfanylacetamide
CID 166739002
(3S,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 118855885
(2R,3R,4R,6R,7R,8S)-1,2,3,4,6,7,8,9-octahydroxynonan-5-one
CID 54572556
(3R,4R)-1,3,4,5-tetrahydroxy(113C)pentan-2-one
CID 90469716
N'-(3,4,5-trihydroxy-2-oxopentyl)propanehydrazide
CID 140531712
ethane;2-hydroxy-N-(3-hydroxy-2-methoxypropyl)acetamide
CID 143639153
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
phosphane;1,3,4,5-tetrahydroxypentan-2-one
CID 170344505
1-(ethylamino)propane-1,2,3-triol
CID 163812588

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide?
The IUPAC name of 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide (CID 141080027) is 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide is O=C(CO)NC(O)[C@@H](O)CO.
What is the InChIKey of 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide?
The InChIKey is JALMFQPHBJBDAI-WWLRPLJCSA-N. The full InChI is InChI=1S/C5H11NO5/c7-1-3(9)5(11)6-4(10)2-8/h3,5,7-9,11H,1-2H2,(H,6,10)/t3-,5?/m0/s1.
What are the key properties of 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide?
2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide has a molecular weight of 165.14 g/mol, XLogP of -3.23, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2S)-1,2,3-trihydroxypropyl]acetamide is sourced from PubChem (CID 141080027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).