ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C15H19N3O3 — CID 138595435

IUPACethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H19N3O3/c1-2-21-15(20)12-8-17-14-11(5-6-16-14)13(12)18-9-3-4-10(19)7-9/h5-6,8-10,19H,2-4,7H2,1H3,(H2,16,17,18)/t9-,10-/m1/s1
InChIKeyRGEDJTJOLNFGOD-NXEZZACHSA-N
MW289.34 g/mol
LogP2.06
Rot. Bonds4

About ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 138595435) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID138595435
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C15H19N3O3/c1-2-21-15(20)12-8-17-14-11(5-6-16-14)13(12)18-9-3-4-10(19)7-9/h5-6,8-10,19H,2-4,7H2,1H3,(H2,16,17,18)/t9-,10-/m1/s1
InChIKeyRGEDJTJOLNFGOD-NXEZZACHSA-N
XLogP2.06
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 138595435) is ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is RGEDJTJOLNFGOD-NXEZZACHSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-21-15(20)12-8-17-14-11(5-6-16-14)13(12)18-9-3-4-10(19)7-9/h5-6,8-10,19H,2-4,7H2,1H3,(H2,16,17,18)/t9-,10-/m1/s1.
What are the key properties of ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 138595435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).