(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H14N2O3 — CID 20772795

IUPAC(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCC(O)C2)c1O
InChIInChI=1S/C11H14N2O3/c12-9-3-1-2-8(10(9)15)11(16)13-5-4-7(14)6-13/h1-3,7,14-15H,4-6,12H2
InChIKeySCXLAOWWYRPSPJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.18
Rot. Bonds1

About (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 20772795) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID20772795
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCC(O)C2)c1O
InChIInChI=1S/C11H14N2O3/c12-9-3-1-2-8(10(9)15)11(16)13-5-4-7(14)6-13/h1-3,7,14-15H,4-6,12H2
InChIKeySCXLAOWWYRPSPJ-UHFFFAOYSA-N
XLogP0.18
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725
1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide
CID 89354748
(1-hydroxynaphthalen-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918604
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
CID 107214240
(3-amino-2-hydroxyphenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 113386508
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 20772795) is (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is Nc1cccc(C(=O)N2CCC(O)C2)c1O.
What is the InChIKey of (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is SCXLAOWWYRPSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9-3-1-2-8(10(9)15)11(16)13-5-4-7(14)6-13/h1-3,7,14-15H,4-6,12H2.
What are the key properties of (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 222.24 g/mol, XLogP of 0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 20772795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).