(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H16BrNO5 — CID 79000208

IUPAC(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C14H16BrNO5/c1-8(21-11-4-2-9(15)3-5-11)13(18)16-7-10(17)6-12(16)14(19)20/h2-5,8,10,12,17H,6-7H2,1H3,(H,19,20)/t8?,10-,12-/m1/s1
InChIKeyRWSZZJUMYHPLKG-JAKHEFHJSA-N
MW358.19 g/mol
LogP1.26
Rot. Bonds4

About (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000208) has the molecular formula C14H16BrNO5 and a molecular weight of 358.19 g/mol. Its IUPAC name is (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000208
Molecular FormulaC14H16BrNO5
Molecular Weight358.19 g/mol
Exact Mass357.02
IUPAC Name(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C14H16BrNO5/c1-8(21-11-4-2-9(15)3-5-11)13(18)16-7-10(17)6-12(16)14(19)20/h2-5,8,10,12,17H,6-7H2,1H3,(H,19,20)/t8?,10-,12-/m1/s1
InChIKeyRWSZZJUMYHPLKG-JAKHEFHJSA-N
XLogP1.26
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 63106235
4-[2-(4-bromophenoxy)propanoyl]thiomorpholine-3-carboxylic acid
CID 78979943
1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356873
(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712835
(2R,4R)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000234
(2S,4R)-1-[(2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 126679722
2-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916938
2-(4-bromophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66261639
(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid
CID 61152823
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
1-[(4-bromophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61415270
(2S,4S)-1-[2-(4-bromophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 30120664

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000208) is (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC(Oc1ccc(Br)cc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RWSZZJUMYHPLKG-JAKHEFHJSA-N. The full InChI is InChI=1S/C14H16BrNO5/c1-8(21-11-4-2-9(15)3-5-11)13(18)16-7-10(17)6-12(16)14(19)20/h2-5,8,10,12,17H,6-7H2,1H3,(H,19,20)/t8?,10-,12-/m1/s1.
What are the key properties of (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 358.19 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).