4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide

C11H14N2O2 — CID 79689032

IUPAC4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1ccc(O)cc1
InChIInChI=1S/C11H14N2O2/c14-10-3-1-8(2-4-10)11(15)13-9-5-6-12-7-9/h1-4,9,12,14H,5-7H2,(H,13,15)/t9-/m0/s1
InChIKeyNYQNDEWOFNANED-VIFPVBQESA-N
MW206.25 g/mol
LogP0.48
Rot. Bonds2

About 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide

4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 79689032) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID79689032
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@H]1CCNC1)c1ccc(O)cc1
InChIInChI=1S/C11H14N2O2/c14-10-3-1-8(2-4-10)11(15)13-9-5-6-12-7-9/h1-4,9,12,14H,5-7H2,(H,13,15)/t9-/m0/s1
InChIKeyNYQNDEWOFNANED-VIFPVBQESA-N
XLogP0.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454464
N-piperidin-3-ylbenzamide
CID 22017045
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 79689032) is 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(N[C@H]1CCNC1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is NYQNDEWOFNANED-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10-3-1-8(2-4-10)11(15)13-9-5-6-12-7-9/h1-4,9,12,14H,5-7H2,(H,13,15)/t9-/m0/s1.
What are the key properties of 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 206.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 79689032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).