(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol

C10H13N3O — CID 135394624

IUPAC(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
SMILESN[C@H](CO)Cc1c[nH]c2ncccc12
InChIInChI=1S/C10H13N3O/c11-8(6-14)4-7-5-13-10-9(7)2-1-3-12-10/h1-3,5,8,14H,4,6,11H2,(H,12,13)/t8-/m0/s1
InChIKeyAMMAIBNVQSTRKZ-QMMMGPOBSA-N
MW191.23 g/mol
LogP0.43
Rot. Bonds3

About (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol

(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol (PubChem CID 135394624) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
PubChem CID135394624
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
SMILESN[C@H](CO)Cc1c[nH]c2ncccc12
InChIInChI=1S/C10H13N3O/c11-8(6-14)4-7-5-13-10-9(7)2-1-3-12-10/h1-3,5,8,14H,4,6,11H2,(H,12,13)/t8-/m0/s1
InChIKeyAMMAIBNVQSTRKZ-QMMMGPOBSA-N
XLogP0.43
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
propan-2-yl (2R)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 135396257
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-yn-2-ol
CID 175979529
2,2,2-trifluoroethyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 175969583
(2S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)butan-1-ol
CID 104980429
(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pentan-2-imine
CID 174571126
(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
2-(methylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanenitrile
CID 174302210
ethyl (2R)-2-nitro-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 98119872
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol (CID 135394624) is (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol is N[C@H](CO)Cc1c[nH]c2ncccc12.
What is the InChIKey of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol?
The InChIKey is AMMAIBNVQSTRKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O/c11-8(6-14)4-7-5-13-10-9(7)2-1-3-12-10/h1-3,5,8,14H,4,6,11H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol?
(2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol has a molecular weight of 191.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol is sourced from PubChem (CID 135394624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).