N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide

C9H16N2O6 — CID 139475828

IUPACN-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESNC(=O)CNC(=O)C[C@@H]1OC[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C9H16N2O6/c10-6(13)2-11-7(14)1-5-9(16)8(15)4(12)3-17-5/h4-5,8-9,12,15-16H,1-3H2,(H2,10,13)(H,11,14)/t4-,5+,8+,9?/m1/s1
InChIKeyGKXBJNSHFOPBOB-GGNZQWDASA-N
MW248.23 g/mol
LogP-3.54
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide

N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (PubChem CID 139475828) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
PubChem CID139475828
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC NameN-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESNC(=O)CNC(=O)C[C@@H]1OC[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C9H16N2O6/c10-6(13)2-11-7(14)1-5-9(16)8(15)4(12)3-17-5/h4-5,8-9,12,15-16H,1-3H2,(H2,10,13)(H,11,14)/t4-,5+,8+,9?/m1/s1
InChIKeyGKXBJNSHFOPBOB-GGNZQWDASA-N
XLogP-3.54
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-3.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide with MolForge

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Related Compounds

1-[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 129131488
N-(2-amino-2-oxoethyl)-2-(4,4-dimethylcyclohexyl)acetamide
CID 10013935
oxolane;1-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 175493729
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2S,3R,4R,5S)-2-(chloromethyl)oxane-3,4,5-triol
CID 18632305
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
(3S,5S)-2-(2-hydroxyethyl)oxane-3,4,5-triol
CID 166874001
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 130353302
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 21336535
2-[(2-chloroacetyl)amino]acetamide
CID 28605345

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (CID 139475828) is N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is NC(=O)CNC(=O)C[C@@H]1OC[C@@H](O)[C@H](O)C1O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The InChIKey is GKXBJNSHFOPBOB-GGNZQWDASA-N. The full InChI is InChI=1S/C9H16N2O6/c10-6(13)2-11-7(14)1-5-9(16)8(15)4(12)3-17-5/h4-5,8-9,12,15-16H,1-3H2,(H2,10,13)(H,11,14)/t4-,5+,8+,9?/m1/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide has a molecular weight of 248.23 g/mol, XLogP of -3.54, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is sourced from PubChem (CID 139475828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).