(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol

C11H18N2O4 — CID 25169850

IUPAC(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol
SMILESNc1ccccc1NC[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H18N2O4/c12-7-3-1-2-4-8(7)13-5-9(15)11(17)10(16)6-14/h1-4,9-11,13-17H,5-6,12H2/t9-,10+,11-/m0/s1
InChIKeyFTHQNFWWNKXWAH-AXFHLTTASA-N
MW242.28 g/mol
LogP-1.24
Rot. Bonds6

About (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol

(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol (PubChem CID 25169850) has the molecular formula C11H18N2O4 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol
PubChem CID25169850
Molecular FormulaC11H18N2O4
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol
SMILESNc1ccccc1NC[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C11H18N2O4/c12-7-3-1-2-4-8(7)13-5-9(15)11(17)10(16)6-14/h1-4,9-11,13-17H,5-6,12H2/t9-,10+,11-/m0/s1
InChIKeyFTHQNFWWNKXWAH-AXFHLTTASA-N
XLogP-1.24
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4S)-5-(2-amino-4,5-dimethylanilino)pentane-1,2,3,4-tetrol
CID 11380211
(2R,3R,4S,5R,6R)-N-(2-aminophenyl)-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513203
(2R,3R,4R)-5-(2,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 70539153
(2R,3S,4R)-5-(3,4-dimethyl-2-phenyldiazenylanilino)pentane-1,2,3,4-tetrol
CID 7452612
2-N-(2-methyl-3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63981413
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
2-(2-aminoanilino)-2-(4-methylphenyl)ethanol
CID 139535831
(2R,3R,4R,5S)-6-[benzyl(deuterio)amino]hexane-1,2,3,4,5-pentol
CID 141022283
2-(2-aminoanilino)ethanethiol
CID 10773435
N-(2-aminophenyl)-3-(1,2,3-trihydroxypropyl)quinoxaline-2-carboxamide
CID 3718203

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol (CID 25169850) is (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol is Nc1ccccc1NC[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol?
The InChIKey is FTHQNFWWNKXWAH-AXFHLTTASA-N. The full InChI is InChI=1S/C11H18N2O4/c12-7-3-1-2-4-8(7)13-5-9(15)11(17)10(16)6-14/h1-4,9-11,13-17H,5-6,12H2/t9-,10+,11-/m0/s1.
What are the key properties of (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol?
(2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol has a molecular weight of 242.28 g/mol, XLogP of -1.24, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-5-(2-aminoanilino)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 25169850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).