(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C15H19NO5 — CID 70104590

IUPAC(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCO[C@@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-21-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyKBIXHOQRKYWRTC-OAHLLOKOSA-N
MW293.32 g/mol
LogP2.24
Rot. Bonds5

About (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 70104590) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID70104590
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCCO[C@@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-2-21-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,17,18)/t15-/m1/s1
InChIKeyKBIXHOQRKYWRTC-OAHLLOKOSA-N
XLogP2.24
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
dibenzyl (2S)-2-carbonochloridoylpyrrolidine-1,2-dicarboxylate
CID 151279854
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
(2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 20757882
benzyl (2S)-2-methyl-2-(2-oxoethylcarbamoyl)pyrrolidine-1-carboxylate
CID 59548489
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 70104590) is (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CCO[C@@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is KBIXHOQRKYWRTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-21-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3,(H,17,18)/t15-/m1/s1.
What are the key properties of (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70104590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).