(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C13H13NO5 — CID 34176386

IUPAC(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m1/s1
InChIKeyRPLLCMZOIFOBIF-LLVKDONJSA-N
MW263.25 g/mol
LogP1.05
Rot. Bonds3

About (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 34176386) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID34176386
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m1/s1
InChIKeyRPLLCMZOIFOBIF-LLVKDONJSA-N
XLogP1.05
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-phenylmethoxycarbonyl-3-azabicyclo[4.1.0]hept-1(6)-ene-4-carboxylic acid
CID 153298928
2-O-benzyl 1-O-tert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
CID 10958148
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
(2S,4Z)-1-phenylmethoxycarbonyl-4-(thiophen-2-ylmethylidene)pyrrolidine-2-carboxylic acid
CID 70546433
4-oxo-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
CID 18534717
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
(3S)-7-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10570231
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
CID 101153820
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232
benzyl 3-methyl-5-oxopiperidine-1-carboxylate
CID 163219670

Frequently Asked Questions

What is the IUPAC name of (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 34176386) is (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C1C[C@H](C(=O)O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is RPLLCMZOIFOBIF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 34176386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).