(2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine

C10H13N3 — CID 58970159

IUPAC(2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine
SMILESC[C@H](N)Cn1ccc2ncccc21
InChIInChI=1S/C10H13N3/c1-8(11)7-13-6-4-9-10(13)3-2-5-12-9/h2-6,8H,7,11H2,1H3/t8-/m0/s1
InChIKeyCJLIFDCTIQPDDV-QMMMGPOBSA-N
MW175.24 g/mol
LogP1.38
Rot. Bonds2

About (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine

(2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine (PubChem CID 58970159) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine
PubChem CID58970159
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name(2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine
SMILESC[C@H](N)Cn1ccc2ncccc21
InChIInChI=1S/C10H13N3/c1-8(11)7-13-6-4-9-10(13)3-2-5-12-9/h2-6,8H,7,11H2,1H3/t8-/m0/s1
InChIKeyCJLIFDCTIQPDDV-QMMMGPOBSA-N
XLogP1.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine?
The IUPAC name of (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine (CID 58970159) is (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine is C[C@H](N)Cn1ccc2ncccc21.
What is the InChIKey of (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine?
The InChIKey is CJLIFDCTIQPDDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(11)7-13-6-4-9-10(13)3-2-5-12-9/h2-6,8H,7,11H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine?
(2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine has a molecular weight of 175.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine is sourced from PubChem (CID 58970159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).