(2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid

C11H13NO4 — CID 54580819

IUPAC(2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2cccc(O)c2)CN1
InChIInChI=1S/C11H13NO4/c13-7-2-1-3-8(4-7)16-9-5-10(11(14)15)12-6-9/h1-4,9-10,12-13H,5-6H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyVWOQEWQGZKVROT-UWVGGRQHSA-N
MW223.23 g/mol
LogP0.59
Rot. Bonds3

About (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid (PubChem CID 54580819) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid
PubChem CID54580819
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2cccc(O)c2)CN1
InChIInChI=1S/C11H13NO4/c13-7-2-1-3-8(4-7)16-9-5-10(11(14)15)12-6-9/h1-4,9-10,12-13H,5-6H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyVWOQEWQGZKVROT-UWVGGRQHSA-N
XLogP0.59
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-phenoxypyrrolidine-2-carboxylic Acid
CID 11160066
(2S,4S)-4-(2,3-dihydro-1-benzofuran-6-yloxy)pyrrolidine-2-carboxylic acid
CID 54581822
(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54587697
3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol
CID 58006940
(2S,4S)-4-[4-(trifluoromethoxy)phenoxy]pyrrolidine-2-carboxylic acid
CID 54584746
methyl (2S,4S)-4-phenoxypyrrolidine-2-carboxylate hydrochloride
CID 45075583
(2S,4S)-4-phenoxypyrrolidine-2-carboxylic acid hydrochloride
CID 137935700
Methyl 4-(2-fluorophenoxy)pyrrolidine-2-carboxylate hydrochloride
CID 76145215
4-Phenoxy-proline
CID 54289839
(2S,3R,4R)-3-(carboxymethyl)-4-phenoxypyrrolidine-2-carboxylic acid
CID 91417465
(2S,4S)-Methyl 4-phenoxypyrrolidine-2-carboxylate
CID 10585070
(4S)-4-(4-Fluorophenoxy)-L-proline
CID 12849525

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid (CID 54580819) is (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](Oc2cccc(O)c2)CN1.
What is the InChIKey of (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is VWOQEWQGZKVROT-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H13NO4/c13-7-2-1-3-8(4-7)16-9-5-10(11(14)15)12-6-9/h1-4,9-10,12-13H,5-6H2,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(3-hydroxyphenoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54580819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).