(2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C14H17NO5 — CID 11687747

IUPAC(2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO5/c1-19-11-7-12(13(16)17)15(8-11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeySRQAKAAEVLROCY-VXGBXAGGSA-N
MW279.29 g/mol
LogP1.50
Rot. Bonds4

About (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 11687747) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID11687747
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCO[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO5/c1-19-11-7-12(13(16)17)15(8-11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeySRQAKAAEVLROCY-VXGBXAGGSA-N
XLogP1.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyloxycarbonyl-L-proline
CID 101987
1-Benzyl hydrogen 5-oxopyrrolidine-1,2-dicarboxylate
CID 98960
(S)-benzyl 2-((S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 14046926
1-benzyl hydrogen (R)-pyrrolidine-1,2-dicarboxylate
CID 111208
1-Carbobenzoxy-2-piperidinecarboxylic Acid
CID 4431026
Z-D-Prolinol
CID 5314177
(S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 9824296
N-(Carbobenzyloxy)-DL-proline
CID 232388
N-Carbobenzoxy-L-proline-1,2-dibromoethyl ester
CID 21125184
1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
CID 391517
2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 11687747) is (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CO[C@@H]1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is SRQAKAAEVLROCY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-11-7-12(13(16)17)15(8-11)14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11687747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).