2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid

C12H14N2O4 — CID 69177759

IUPAC2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid
SMILESNC(=O)C1CCC(c2ccc(O)cc2)N1C(=O)O
InChIInChI=1S/C12H14N2O4/c13-11(16)10-6-5-9(14(10)12(17)18)7-1-3-8(15)4-2-7/h1-4,9-10,15H,5-6H2,(H2,13,16)(H,17,18)
InChIKeyIXRITTRZLGJGKD-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.06
Rot. Bonds2

About 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid

2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid (PubChem CID 69177759) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid
PubChem CID69177759
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid
SMILESNC(=O)C1CCC(c2ccc(O)cc2)N1C(=O)O
InChIInChI=1S/C12H14N2O4/c13-11(16)10-6-5-9(14(10)12(17)18)7-1-3-8(15)4-2-7/h1-4,9-10,15H,5-6H2,(H2,13,16)(H,17,18)
InChIKeyIXRITTRZLGJGKD-UHFFFAOYSA-N
XLogP1.06
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid (CID 69177759) is 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid is NC(=O)C1CCC(c2ccc(O)cc2)N1C(=O)O.
What is the InChIKey of 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is IXRITTRZLGJGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c13-11(16)10-6-5-9(14(10)12(17)18)7-1-3-8(15)4-2-7/h1-4,9-10,15H,5-6H2,(H2,13,16)(H,17,18).
What are the key properties of 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid?
2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69177759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).