3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C14H22N2O3 — CID 102779537

IUPAC3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CCNC1C(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-7-4-5-15-11(7)13(17)16-12-9-3-2-8(6-9)10(12)14(18)19/h7-12,15H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyVHOFHPPSYVEUBR-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.60
Rot. Bonds3

About 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 102779537) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID102779537
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC1CCNC1C(=O)NC1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C14H22N2O3/c1-7-4-5-15-11(7)13(17)16-12-9-3-2-8(6-9)10(12)14(18)19/h7-12,15H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyVHOFHPPSYVEUBR-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 102779537) is 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is CC1CCNC1C(=O)NC1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is VHOFHPPSYVEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-7-4-5-15-11(7)13(17)16-12-9-3-2-8(6-9)10(12)14(18)19/h7-12,15H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 102779537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).