(2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

C14H22N2O3 — CID 132838592

IUPAC(2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
SMILESO=C(NC12CCC(CC1)C[C@H]2C(=O)O)[C@@H]1CCCN1
InChIInChI=1S/C14H22N2O3/c17-12(11-2-1-7-15-11)16-14-5-3-9(4-6-14)8-10(14)13(18)19/h9-11,15H,1-8H2,(H,16,17)(H,18,19)/t9?,10-,11-,14?/m0/s1
InChIKeyNPWQPZPYHXLSNF-JXJNQWLDSA-N
MW266.34 g/mol
LogP0.89
Rot. Bonds3

About (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

(2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid (PubChem CID 132838592) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
PubChem CID132838592
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
SMILESO=C(NC12CCC(CC1)C[C@H]2C(=O)O)[C@@H]1CCCN1
InChIInChI=1S/C14H22N2O3/c17-12(11-2-1-7-15-11)16-14-5-3-9(4-6-14)8-10(14)13(18)19/h9-11,15H,1-8H2,(H,16,17)(H,18,19)/t9?,10-,11-,14?/m0/s1
InChIKeyNPWQPZPYHXLSNF-JXJNQWLDSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid with MolForge

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Related Compounds

hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889873
[(2R)-pyrrolidine-2-carbonyl]carbamic acid
CID 91322472
4-ethyl-1-[[(2R)-pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 103870910
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid?
The IUPAC name of (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid (CID 132838592) is (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid is O=C(NC12CCC(CC1)C[C@H]2C(=O)O)[C@@H]1CCCN1.
What is the InChIKey of (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid?
The InChIKey is NPWQPZPYHXLSNF-JXJNQWLDSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(11-2-1-7-15-11)16-14-5-3-9(4-6-14)8-10(14)13(18)19/h9-11,15H,1-8H2,(H,16,17)(H,18,19)/t9?,10-,11-,14?/m0/s1.
What are the key properties of (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid?
(2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-pyrrolidine-2-carbonyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid is sourced from PubChem (CID 132838592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).