2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride

C7H15ClN2O5 — CID 171381064

IUPAC2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14N2O5.ClH/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7;/h3,5-7,10,12-13H,1-2,8H2,(H,9,11);1H/t3-,5-,6-,7?;/m1./s1
InChIKeyWOJDRDXOPPUPIP-JAJJGUDFSA-N
MW242.66 g/mol
LogP-3.08
Rot. Bonds3

About 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride

2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride (PubChem CID 171381064) has the molecular formula C7H15ClN2O5 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride
PubChem CID171381064
Molecular FormulaC7H15ClN2O5
Molecular Weight242.66 g/mol
Exact Mass242.07
IUPAC Name2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14N2O5.ClH/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7;/h3,5-7,10,12-13H,1-2,8H2,(H,9,11);1H/t3-,5-,6-,7?;/m1./s1
InChIKeyWOJDRDXOPPUPIP-JAJJGUDFSA-N
XLogP-3.08
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 5-3.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride with MolForge

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Related Compounds

2-bromo-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 6453781
2-bromo-N-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 11174069
6-amino-N-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 22870450
6-amino-N-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexanamide
CID 172641746
1,3-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
CID 5239774
N,N'-bis[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentadecanediamide
CID 101019332
N,N'-bis[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexadecanediamide
CID 54571177
N,N'-bis[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]dodecanediamide
CID 56631374
2-deuterio-N-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
CID 140868360
5-oxo-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pentanoic acid
CID 11716276
N-(2-aminoethyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentadecanediamide
CID 102473240
[5-[(2-aminoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
CID 3490

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride (CID 171381064) is 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride is Cl.NCC(=O)NC1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride?
The InChIKey is WOJDRDXOPPUPIP-JAJJGUDFSA-N. The full InChI is InChI=1S/C7H14N2O5.ClH/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7;/h3,5-7,10,12-13H,1-2,8H2,(H,9,11);1H/t3-,5-,6-,7?;/m1./s1.
What are the key properties of 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride?
2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride has a molecular weight of 242.66 g/mol, XLogP of -3.08, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 171381064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).