(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid

C19H19NO4 — CID 125135118

IUPAC(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C19H19NO4/c21-18(20-11-10-16(12-20)19(22)23)15-8-6-14(7-9-15)13-24-17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H,22,23)/t16-/m1/s1
InChIKeyZXZSBLIZNXHLSB-MRXNPFEDSA-N
MW325.36 g/mol
LogP2.81
Rot. Bonds5

About (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 125135118) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID125135118
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C19H19NO4/c21-18(20-11-10-16(12-20)19(22)23)15-8-6-14(7-9-15)13-24-17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H,22,23)/t16-/m1/s1
InChIKeyZXZSBLIZNXHLSB-MRXNPFEDSA-N
XLogP2.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349671
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
1-[3-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355008
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 119173769
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid (CID 125135118) is (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3)cc2)C1.
What is the InChIKey of (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZXZSBLIZNXHLSB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(20-11-10-16(12-20)19(22)23)15-8-6-14(7-9-15)13-24-17-4-2-1-3-5-17/h1-9,16H,10-13H2,(H,22,23)/t16-/m1/s1.
What are the key properties of (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125135118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).