(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid

C20H21NO5 — CID 18635784

IUPAC(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)[C@H](O)[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c22-18(20(24)25)17-7-4-12-21(17)19(23)15-8-10-16(11-9-15)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2,(H,24,25)/t17-,18+/m0/s1
InChIKeyVAKVQMSHBRMPLZ-ZWKOTPCHSA-N
MW355.39 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid

(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 18635784) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid
PubChem CID18635784
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)[C@H](O)[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c22-18(20(24)25)17-7-4-12-21(17)19(23)15-8-10-16(11-9-15)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2,(H,24,25)/t17-,18+/m0/s1
InChIKeyVAKVQMSHBRMPLZ-ZWKOTPCHSA-N
XLogP2.32
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 119649052
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
(2S)-1-[4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365774
4-phenylmethoxybenzoic acid
CID 68896574
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 155318665
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid (CID 18635784) is (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid is O=C(O)[C@H](O)[C@@H]1CCCN1C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is VAKVQMSHBRMPLZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H21NO5/c22-18(20(24)25)17-7-4-12-21(17)19(23)15-8-10-16(11-9-15)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,22H,4,7,12-13H2,(H,24,25)/t17-,18+/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
(2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(2S)-1-(4-phenylmethoxybenzoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 18635784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).