(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid

C10H11N3O2 — CID 25324840

IUPAC(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid
SMILESN[C@H](Cn1ccc2cccnc21)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(10(14)15)6-13-5-3-7-2-1-4-12-9(7)13/h1-5,8H,6,11H2,(H,14,15)/t8-/m1/s1
InChIKeyIUKWKVOZFAZNKS-MRVPVSSYSA-N
MW205.22 g/mol
LogP0.45
Rot. Bonds3

About (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid

(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid (PubChem CID 25324840) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid
PubChem CID25324840
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid
SMILESN[C@H](Cn1ccc2cccnc21)C(=O)O
InChIInChI=1S/C10H11N3O2/c11-8(10(14)15)6-13-5-3-7-2-1-4-12-9(7)13/h1-5,8H,6,11H2,(H,14,15)/t8-/m1/s1
InChIKeyIUKWKVOZFAZNKS-MRVPVSSYSA-N
XLogP0.45
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid
CID 167727256
N-methyl-1-pyrrolo[2,3-b]pyridin-1-ylpropan-2-amine
CID 117223827
4-pyrrolo[2,3-b]pyridin-1-ylbutan-1-amine
CID 71778142
N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
CID 118437647
ethyl 4-pyrrolo[2,3-b]pyridin-1-ylbutanoate
CID 58803600
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
CID 68889856
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]-3-pyrrolo[2,3-b]pyridin-1-ylpropanoate
CID 10527668
1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridine
CID 76852301
1-[(E)-3-phenylprop-2-enyl]pyrrolo[2,3-b]pyridine
CID 135062929
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
2-amino-3-(3-nitroso-2-pyridinyl)propanoic acid
CID 88580721

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid (CID 25324840) is (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid is N[C@H](Cn1ccc2cccnc21)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid?
The InChIKey is IUKWKVOZFAZNKS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-8(10(14)15)6-13-5-3-7-2-1-4-12-9(7)13/h1-5,8H,6,11H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid?
(2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid has a molecular weight of 205.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-pyrrolo[2,3-b]pyridin-1-ylpropanoic acid is sourced from PubChem (CID 25324840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).