(2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C17H17NO5 — CID 70551253

IUPAC(2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(c2ccoc2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-16(20)15-8-14(13-6-7-22-11-13)9-18(15)17(21)23-10-12-4-2-1-3-5-12/h1-7,11,14-15H,8-10H2,(H,19,20)/t14?,15-/m0/s1
InChIKeyVOFIFGTZOZEWBR-LOACHALJSA-N
MW315.32 g/mol
LogP2.86
Rot. Bonds4

About (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 70551253) has the molecular formula C17H17NO5 and a molecular weight of 315.32 g/mol. Its IUPAC name is (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID70551253
Molecular FormulaC17H17NO5
Molecular Weight315.32 g/mol
Exact Mass315.11
IUPAC Name(2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(c2ccoc2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO5/c19-16(20)15-8-14(13-6-7-22-11-13)9-18(15)17(21)23-10-12-4-2-1-3-5-12/h1-7,11,14-15H,8-10H2,(H,19,20)/t14?,15-/m0/s1
InChIKeyVOFIFGTZOZEWBR-LOACHALJSA-N
XLogP2.86
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
(2S,4R)-1-phenylmethoxycarbonyl-4-propylpyrrolidine-2-carboxylic acid
CID 22802136
(2R,4S)-4-acetyloxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 18391514
(2S,4S)-1-phenylmethoxycarbonyl-4-piperidin-1-ylpyrrolidine-2-carboxylic acid
CID 70469193
(2S,4S)-4-amino-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146013325
(2S)-4-(4-methylcyclohexa-1,5-dien-1-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70549964
(2S)-4-(3,4-dihydronaphthalen-1-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70550908
cyclohexanamine;4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 126475877
(2S)-4-(1,3-dioxoisoindol-2-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70468975
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 70551253) is (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(c2ccoc2)CN1C(=O)OCc1ccccc1.
What is the InChIKey of (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is VOFIFGTZOZEWBR-LOACHALJSA-N. The full InChI is InChI=1S/C17H17NO5/c19-16(20)15-8-14(13-6-7-22-11-13)9-18(15)17(21)23-10-12-4-2-1-3-5-12/h1-7,11,14-15H,8-10H2,(H,19,20)/t14?,15-/m0/s1.
What are the key properties of (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 315.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(furan-3-yl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70551253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).