(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 63841659

IUPAC(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1C[C@H](O)C[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-2-15(10-6-4-3-5-7-10)14(20)16-9-11(17)8-12(16)13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyRFXBMABLOXWNLZ-NEPJUHHUSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds3

About (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63841659) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63841659
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1C[C@H](O)C[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C14H24N2O4/c1-2-15(10-6-4-3-5-7-10)14(20)16-9-11(17)8-12(16)13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyRFXBMABLOXWNLZ-NEPJUHHUSA-N
XLogP1.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63841659) is (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCN(C(=O)N1C[C@H](O)C[C@H]1C(=O)O)C1CCCCC1.
What is the InChIKey of (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RFXBMABLOXWNLZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-15(10-6-4-3-5-7-10)14(20)16-9-11(17)8-12(16)13(18)19/h10-12,17H,2-9H2,1H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63841659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).