2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H24N2O4 — CID 102889938

IUPAC2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCN(C(=O)N1CC2CCCC2C1C(=O)O)C1CCOCC1
InChIInChI=1S/C15H24N2O4/c1-16(11-5-7-21-8-6-11)15(20)17-9-10-3-2-4-12(10)13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyFNAQRGHJUYZIPA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.40
Rot. Bonds2

About 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102889938) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102889938
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCN(C(=O)N1CC2CCCC2C1C(=O)O)C1CCOCC1
InChIInChI=1S/C15H24N2O4/c1-16(11-5-7-21-8-6-11)15(20)17-9-10-3-2-4-12(10)13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19)
InChIKeyFNAQRGHJUYZIPA-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102889938) is 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CN(C(=O)N1CC2CCCC2C1C(=O)O)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is FNAQRGHJUYZIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-16(11-5-7-21-8-6-11)15(20)17-9-10-3-2-4-12(10)13(17)14(18)19/h10-13H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102889938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).