(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide

C14H19BrN2O2 — CID 125138536

IUPAC(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C14H19BrN2O2/c1-9(5-10-3-2-4-11(15)6-10)17-14(19)13-7-12(18)8-16-13/h2-4,6,9,12-13,16,18H,5,7-8H2,1H3,(H,17,19)/t9-,12-,13-/m1/s1
InChIKeySJIAIMUYHREQBJ-OASPWFOLSA-N
MW327.22 g/mol
LogP1.22
Rot. Bonds4

About (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 125138536) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID125138536
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESC[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C14H19BrN2O2/c1-9(5-10-3-2-4-11(15)6-10)17-14(19)13-7-12(18)8-16-13/h2-4,6,9,12-13,16,18H,5,7-8H2,1H3,(H,17,19)/t9-,12-,13-/m1/s1
InChIKeySJIAIMUYHREQBJ-OASPWFOLSA-N
XLogP1.22
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43699119
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
(2R,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125138913
(2S,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125152598
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119804053
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
CID 119740648
N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705008
N-[1-(4-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702940

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 125138536) is (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide is C[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is SJIAIMUYHREQBJ-OASPWFOLSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9(5-10-3-2-4-11(15)6-10)17-14(19)13-7-12(18)8-16-13/h2-4,6,9,12-13,16,18H,5,7-8H2,1H3,(H,17,19)/t9-,12-,13-/m1/s1.
What are the key properties of (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 125138536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).