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

C15H24N2O3 — CID 83072478

IUPAC3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCC1(C(=O)NC2C3CCC(C3)C2C(=O)O)CCCN1
InChIInChI=1S/C15H24N2O3/c1-2-15(6-3-7-16-15)14(20)17-12-10-5-4-9(8-10)11(12)13(18)19/h9-12,16H,2-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyPVVIVFIANMKMQE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.13
Rot. Bonds4

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

3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 83072478) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID83072478
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCC1(C(=O)NC2C3CCC(C3)C2C(=O)O)CCCN1
InChIInChI=1S/C15H24N2O3/c1-2-15(6-3-7-16-15)14(20)17-12-10-5-4-9(8-10)11(12)13(18)19/h9-12,16H,2-8H2,1H3,(H,17,20)(H,18,19)
InChIKeyPVVIVFIANMKMQE-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64377776
3-[[2-(2,2,2-Trifluoroethylamino)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79260494
3-[(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79811919
3-(2-Methylpropanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64379064
3-(3-Methylbutanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376561
3-(2-Ethylhexanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376568
3-(Hexanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376569
3-[(2-Cyclopropylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376570
3-(3,5,5-Trimethylhexanoylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376574
3-[[2-[Acetyl(methyl)amino]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376575
3-[(1-Methyl-5-oxopyrrolidine-3-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376576
3-[[4-(Methylamino)-4-oxobutyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64376630

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 83072478) is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is CCC1(C(=O)NC2C3CCC(C3)C2C(=O)O)CCCN1.
What is the InChIKey of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is PVVIVFIANMKMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-15(6-3-7-16-15)14(20)17-12-10-5-4-9(8-10)11(12)13(18)19/h9-12,16H,2-8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 83072478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).