(2R,3S)-1-anilinopent-4-ene-2,3-diol

C11H15NO2 — CID 14282993

IUPAC(2R,3S)-1-anilinopent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-10(13)11(14)8-12-9-6-4-3-5-7-9/h2-7,10-14H,1,8H2/t10-,11+/m0/s1
InChIKeyRCAOSYNBQOHFHP-WDEREUQCSA-N
MW193.25 g/mol
LogP1.01
Rot. Bonds5

About (2R,3S)-1-anilinopent-4-ene-2,3-diol

(2R,3S)-1-anilinopent-4-ene-2,3-diol (PubChem CID 14282993) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R,3S)-1-anilinopent-4-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-anilinopent-4-ene-2,3-diol
PubChem CID14282993
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R,3S)-1-anilinopent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@H](O)CNc1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-10(13)11(14)8-12-9-6-4-3-5-7-9/h2-7,10-14H,1,8H2/t10-,11+/m0/s1
InChIKeyRCAOSYNBQOHFHP-WDEREUQCSA-N
XLogP1.01
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-anilinoethanol
CID 54286676
1-anilino-3-chloropropan-2-ol
CID 3640254
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
1-anilino-2-methylpentan-3-ol
CID 69294698
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
2-fluoro-N'-phenylpropane-1,3-diamine
CID 105433807
(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
CID 101063277
N-[(2R,3S)-2,3-dihydroxypent-4-enyl]-1-phenylmethanimine oxide
CID 177475971
1,1-diphenylbut-3-en-2-ol
CID 88826241
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-anilinopent-4-ene-2,3-diol?
The IUPAC name of (2R,3S)-1-anilinopent-4-ene-2,3-diol (CID 14282993) is (2R,3S)-1-anilinopent-4-ene-2,3-diol.
What is the SMILES notation for (2R,3S)-1-anilinopent-4-ene-2,3-diol?
The canonical SMILES for (2R,3S)-1-anilinopent-4-ene-2,3-diol is C=C[C@H](O)[C@H](O)CNc1ccccc1.
What is the InChIKey of (2R,3S)-1-anilinopent-4-ene-2,3-diol?
The InChIKey is RCAOSYNBQOHFHP-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-10(13)11(14)8-12-9-6-4-3-5-7-9/h2-7,10-14H,1,8H2/t10-,11+/m0/s1.
What are the key properties of (2R,3S)-1-anilinopent-4-ene-2,3-diol?
(2R,3S)-1-anilinopent-4-ene-2,3-diol has a molecular weight of 193.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-anilinopent-4-ene-2,3-diol is sourced from PubChem (CID 14282993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).