(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 138052053

IUPAC(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(C)C(=O)N1C[C@H](C(=O)O)[C@@H](C2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-3-16(2)15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyNGTUWWRLELVDBL-OLZOCXBDSA-N
MW282.38 g/mol
LogP2.27
Rot. Bonds3

About (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 138052053) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID138052053
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCN(C)C(=O)N1C[C@H](C(=O)O)[C@@H](C2CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-3-16(2)15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3,(H,18,19)/t12-,13+/m1/s1
InChIKeyNGTUWWRLELVDBL-OLZOCXBDSA-N
XLogP2.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 138052053) is (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCN(C)C(=O)N1C[C@H](C(=O)O)[C@@H](C2CCCCC2)C1.
What is the InChIKey of (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NGTUWWRLELVDBL-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-16(2)15(20)17-9-12(13(10-17)14(18)19)11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclohexyl-1-[ethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 138052053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).