2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid

C13H17N3O2 — CID 165457034

IUPAC2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid
SMILESCCCN(C)c1cc2c(CC(=O)O)c[nH]c2cn1
InChIInChI=1S/C13H17N3O2/c1-3-4-16(2)12-6-10-9(5-13(17)18)7-14-11(10)8-15-12/h6-8,14H,3-5H2,1-2H3,(H,17,18)
InChIKeyQHGZGERASSHIRZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.04
Rot. Bonds5

About 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid

2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid (PubChem CID 165457034) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid
PubChem CID165457034
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid
SMILESCCCN(C)c1cc2c(CC(=O)O)c[nH]c2cn1
InChIInChI=1S/C13H17N3O2/c1-3-4-16(2)12-6-10-9(5-13(17)18)7-14-11(10)8-15-12/h6-8,14H,3-5H2,1-2H3,(H,17,18)
InChIKeyQHGZGERASSHIRZ-UHFFFAOYSA-N
XLogP2.04
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid (CID 165457034) is 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid is CCCN(C)c1cc2c(CC(=O)O)c[nH]c2cn1.
What is the InChIKey of 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid?
The InChIKey is QHGZGERASSHIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-4-16(2)12-6-10-9(5-13(17)18)7-14-11(10)8-15-12/h6-8,14H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid?
2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid has a molecular weight of 247.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[methyl(propyl)amino]-1H-pyrrolo[2,3-c]pyridin-3-yl]acetic acid is sourced from PubChem (CID 165457034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).