(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide

C11H16N2O5 — CID 54431167

IUPAC(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide
SMILESNc1ccc(NC(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C11H16N2O5/c12-6-1-3-7(4-2-6)13-11(18)10(17)9(16)8(15)5-14/h1-4,8-10,14-17H,5,12H2,(H,13,18)/t8-,9-,10-/m1/s1
InChIKeyWHOXODNEBMKFGY-OPRDCNLKSA-N
MW256.26 g/mol
LogP-1.72
Rot. Bonds5

About (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide

(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide (PubChem CID 54431167) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide.

Molecular Properties

Compound Name(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide
PubChem CID54431167
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide
SMILESNc1ccc(NC(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C11H16N2O5/c12-6-1-3-7(4-2-6)13-11(18)10(17)9(16)8(15)5-14/h1-4,8-10,14-17H,5,12H2,(H,13,18)/t8-,9-,10-/m1/s1
InChIKeyWHOXODNEBMKFGY-OPRDCNLKSA-N
XLogP-1.72
TPSA136.04 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R)-2,3,4,5-tetrahydroxy-N-phenylpentanamide
CID 54295332
(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
CID 7921985
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 6991445
(2R,3S,4R)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 1097617
(2R,3R,4S,5R,6R)-N-(2-aminophenyl)-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513203
N-(4-aminophenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79682480
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
CID 129145601
hexane-1,2,3,4,5,6-hexol;phenylcarbamic acid
CID 54607151
N-(4-aminophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61242810

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide?
The IUPAC name of (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide (CID 54431167) is (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide.
What is the SMILES notation for (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide?
The canonical SMILES for (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide is Nc1ccc(NC(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide?
The InChIKey is WHOXODNEBMKFGY-OPRDCNLKSA-N. The full InChI is InChI=1S/C11H16N2O5/c12-6-1-3-7(4-2-6)13-11(18)10(17)9(16)8(15)5-14/h1-4,8-10,14-17H,5,12H2,(H,13,18)/t8-,9-,10-/m1/s1.
What are the key properties of (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide?
(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide has a molecular weight of 256.26 g/mol, XLogP of -1.72, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide is sourced from PubChem (CID 54431167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).