5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid

C11H14N4O3 — CID 122058090

IUPAC5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
SMILESNC(=O)[C@@H]1CC[C@H](Nc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H14N4O3/c12-10(16)6-1-2-7(3-6)15-9-5-13-8(4-14-9)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)/t6-,7+/m1/s1
InChIKeyCGJSCJLTVFXCBW-RQJHMYQMSA-N
MW250.26 g/mol
LogP0.24
Rot. Bonds4

About 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid

5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122058090) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
PubChem CID122058090
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
SMILESNC(=O)[C@@H]1CC[C@H](Nc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H14N4O3/c12-10(16)6-1-2-7(3-6)15-9-5-13-8(4-14-9)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)/t6-,7+/m1/s1
InChIKeyCGJSCJLTVFXCBW-RQJHMYQMSA-N
XLogP0.24
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid (CID 122058090) is 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid is NC(=O)[C@@H]1CC[C@H](Nc2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is CGJSCJLTVFXCBW-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10(16)6-1-2-7(3-6)15-9-5-13-8(4-14-9)11(17)18/h4-7H,1-3H2,(H2,12,16)(H,14,15)(H,17,18)/t6-,7+/m1/s1.
What are the key properties of 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid?
5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).