[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone

C11H13ClN2O2 — CID 94339999

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
SMILESN[C@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1
InChIInChI=1S/C11H13ClN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-4-3-8(13)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m0/s1
InChIKeyUDUVFKNQEBEKMA-QMMMGPOBSA-N
MW240.69 g/mol
LogP1.22
Rot. Bonds1

About [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone

[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone (PubChem CID 94339999) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
PubChem CID94339999
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
SMILESN[C@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1
InChIInChI=1S/C11H13ClN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-4-3-8(13)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m0/s1
InChIKeyUDUVFKNQEBEKMA-QMMMGPOBSA-N
XLogP1.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(5-chloro-2-iodophenyl)methanone
CID 103805035
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119934207
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
1-(5-chloro-2-hydroxybenzoyl)piperidine-4-carboxylic acid
CID 24691005
[(3S)-3-aminopyrrolidin-1-yl]-(4-chloro-2-nitrophenyl)methanone;hydrochloride
CID 119934218
(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
[3-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80668613
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 55030511

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone (CID 94339999) is [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone is N[C@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
The InChIKey is UDUVFKNQEBEKMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-7-1-2-10(15)9(5-7)11(16)14-4-3-8(13)6-14/h1-2,5,8,15H,3-4,6,13H2/t8-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone?
[(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 94339999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).