3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

C23H25NO5 — CID 166307589

IUPAC3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C([C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)N1CCC(CO)(C(=O)O)C1
InChIInChI=1S/C23H25NO5/c25-15-23(22(27)28)10-11-24(14-23)21(26)20-12-19(20)17-6-8-18(9-7-17)29-13-16-4-2-1-3-5-16/h1-9,19-20,25H,10-15H2,(H,27,28)/t19-,20+,23?/m0/s1
InChIKeyYHNJEQLABUXJMF-RCCQNZRSSA-N
MW395.46 g/mol
LogP2.66
Rot. Bonds7

About 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 166307589) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID166307589
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C([C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)N1CCC(CO)(C(=O)O)C1
InChIInChI=1S/C23H25NO5/c25-15-23(22(27)28)10-11-24(14-23)21(26)20-12-19(20)17-6-8-18(9-7-17)29-13-16-4-2-1-3-5-16/h1-9,19-20,25H,10-15H2,(H,27,28)/t19-,20+,23?/m0/s1
InChIKeyYHNJEQLABUXJMF-RCCQNZRSSA-N
XLogP2.66
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
(2S)-4-[(1S,2S)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125153479
2-[(2R)-4-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125134084
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 119435721
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
1-[[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]cyclopropane-1-carboxamide
CID 89492554
N-(3-aminopropyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 119406404
cis-(1S,3R)-3-[[2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674882
2-(4-phenylmethoxyphenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119446523

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (CID 166307589) is 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is O=C([C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1)N1CCC(CO)(C(=O)O)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YHNJEQLABUXJMF-RCCQNZRSSA-N. The full InChI is InChI=1S/C23H25NO5/c25-15-23(22(27)28)10-11-24(14-23)21(26)20-12-19(20)17-6-8-18(9-7-17)29-13-16-4-2-1-3-5-16/h1-9,19-20,25H,10-15H2,(H,27,28)/t19-,20+,23?/m0/s1.
What are the key properties of 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 166307589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).