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

C14H17NO4 — CID 66750957

IUPAC(2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-14(12(16)17)8-5-9-15(14)13(18)19-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyRPUQYVRDBWUEOR-CQSZACIVSA-N
MW263.29 g/mol
LogP2.26
Rot. Bonds3

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

(2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 66750957) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID66750957
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-14(12(16)17)8-5-9-15(14)13(18)19-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,16,17)/t14-/m1/s1
InChIKeyRPUQYVRDBWUEOR-CQSZACIVSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 66750957) is (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is C[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is RPUQYVRDBWUEOR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(12(16)17)8-5-9-15(14)13(18)19-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66750957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).