3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C17H29NO3 — CID 68829984

IUPAC3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C17H29NO3/c1-10(2)8-18(9-11(3)4)16(19)14-12-5-6-13(7-12)15(14)17(20)21/h10-15H,5-9H2,1-4H3,(H,20,21)
InChIKeyYQMGJZQAKVVALV-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.87
Rot. Bonds6

About 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 68829984) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID68829984
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C17H29NO3/c1-10(2)8-18(9-11(3)4)16(19)14-12-5-6-13(7-12)15(14)17(20)21/h10-15H,5-9H2,1-4H3,(H,20,21)
InChIKeyYQMGJZQAKVVALV-UHFFFAOYSA-N
XLogP2.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 68829984) is 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)CN(CC(C)C)C(=O)C1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YQMGJZQAKVVALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-10(2)8-18(9-11(3)4)16(19)14-12-5-6-13(7-12)15(14)17(20)21/h10-15H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 68829984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).