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

C14H17NO5 — CID 12849521

IUPAC(2S,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-NEPJUHHUSA-N
MW279.29 g/mol
LogP1.50
Rot. Bonds4

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

(2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 12849521) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID12849521
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2S,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-NEPJUHHUSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 12849521) is (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,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 (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is SRQAKAAEVLROCY-NEPJUHHUSA-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 (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S,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 (2S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12849521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).