cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid

C15H24N2O4 — CID 106317961

IUPACcis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1(C)CCN(C(=O)[C@H]2CC(C)C[C@H]2C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-9-6-10(11(7-9)13(19)20)12(18)17-5-4-15(2,8-17)14(21)16-3/h9-11H,4-8H2,1-3H3,(H,16,21)(H,19,20)/t9?,10-,11+,15?/m0/s1
InChIKeyZQWXTHGKMNKLDI-FMCALUSXSA-N
MW296.37 g/mol
LogP0.72
Rot. Bonds3

About cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 106317961) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID106317961
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namecis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1(C)CCN(C(=O)[C@H]2CC(C)C[C@H]2C(=O)O)C1
InChIInChI=1S/C15H24N2O4/c1-9-6-10(11(7-9)13(19)20)12(18)17-5-4-15(2,8-17)14(21)16-3/h9-11H,4-8H2,1-3H3,(H,16,21)(H,19,20)/t9?,10-,11+,15?/m0/s1
InChIKeyZQWXTHGKMNKLDI-FMCALUSXSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 106317961) is cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid is CNC(=O)C1(C)CCN(C(=O)[C@H]2CC(C)C[C@H]2C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZQWXTHGKMNKLDI-FMCALUSXSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9-6-10(11(7-9)13(19)20)12(18)17-5-4-15(2,8-17)14(21)16-3/h9-11H,4-8H2,1-3H3,(H,16,21)(H,19,20)/t9?,10-,11+,15?/m0/s1.
What are the key properties of cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106317961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).