(2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H22N2O5 — CID 63841698

IUPAC(2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)NCCOC1CCCC1
InChIInChI=1S/C13H22N2O5/c16-9-7-11(12(17)18)15(8-9)13(19)14-5-6-20-10-3-1-2-4-10/h9-11,16H,1-8H2,(H,14,19)(H,17,18)/t9-,11+/m1/s1
InChIKeyWUBGHNIIRGTWIT-KOLCDFICSA-N
MW286.33 g/mol
LogP0.17
Rot. Bonds5

About (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63841698) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63841698
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)NCCOC1CCCC1
InChIInChI=1S/C13H22N2O5/c16-9-7-11(12(17)18)15(8-9)13(19)14-5-6-20-10-3-1-2-4-10/h9-11,16H,1-8H2,(H,14,19)(H,17,18)/t9-,11+/m1/s1
InChIKeyWUBGHNIIRGTWIT-KOLCDFICSA-N
XLogP0.17
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-1-(2-cyclopentylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000176
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739
(2R,4R)-4-hydroxy-1-[2-(2-methoxyethoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78999454
1-(2-cyclobutylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364354
(2S,4S)-4-hydroxy-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714620
(2S)-4-hydroxy-1-(3-methoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61196712
(2S)-4-hydroxy-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104929470
(2S,4S)-1-(3-butoxypropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104864999
(2S)-1-[2-(carbamoylamino)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 83112729
(2S,4R)-1-(butylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 27339570
(2S,4S)-4-hydroxy-1-(2-methylsulfanylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 64714838
4-hydroxy-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994406

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 63841698) is (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)NCCOC1CCCC1.
What is the InChIKey of (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is WUBGHNIIRGTWIT-KOLCDFICSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-9-7-11(12(17)18)15(8-9)13(19)14-5-6-20-10-3-1-2-4-10/h9-11,16H,1-8H2,(H,14,19)(H,17,18)/t9-,11+/m1/s1.
What are the key properties of (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-cyclopentyloxyethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63841698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).