N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide

C11H15N2O5- — CID 163165268

IUPACN-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)[C@H](O)c1ccc(N([O-])O)cc1
InChIInChI=1S/C11H15N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16-17H,6H2,1H3,(H,12,15)/q-1/t10-,11-/m1/s1
InChIKeyLBPYOOVLDNIAIQ-GHMZBOCLSA-N
MW255.25 g/mol
LogP-0.09
Rot. Bonds5

About N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide

N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide (PubChem CID 163165268) has the molecular formula C11H15N2O5- and a molecular weight of 255.25 g/mol. Its IUPAC name is N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide
PubChem CID163165268
Molecular FormulaC11H15N2O5-
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC NameN-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)[C@H](O)c1ccc(N([O-])O)cc1
InChIInChI=1S/C11H15N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16-17H,6H2,1H3,(H,12,15)/q-1/t10-,11-/m1/s1
InChIKeyLBPYOOVLDNIAIQ-GHMZBOCLSA-N
XLogP-0.09
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide
CID 163155483
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335
4-[(1R,2R)-2-acetamido-1,3-dihydroxypropyl]-N-hydroxybenzeneamine oxide
CID 163165267
N-[(1S,2S)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411973
N-[(1S,2R)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411974
(1R,5R)-2-[1-[[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]amino]ethylidene]-6,6-dimethylbicyclo[3.1.0]hexan-3-one
CID 163132044
N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide
CID 125463975
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759
2,2-dichloro-N-[1-(4-chlorophenyl)-1,3-dihydroxypropan-2-yl]acetamide
CID 23274982
4-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoate
CID 7025313
ethyl N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamate
CID 10924124

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide (CID 163165268) is N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide is CC(=O)N[C@H](CO)[C@H](O)c1ccc(N([O-])O)cc1.
What is the InChIKey of N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide?
The InChIKey is LBPYOOVLDNIAIQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16-17H,6H2,1H3,(H,12,15)/q-1/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide?
N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide has a molecular weight of 255.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 163165268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).