3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid

C14H13N3O2 — CID 117390924

IUPAC3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
SMILESNC(CC(=O)O)c1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C14H13N3O2/c15-11(6-14(18)19)8-1-2-12-10(5-8)9-3-4-16-7-13(9)17-12/h1-5,7,11,17H,6,15H2,(H,18,19)
InChIKeyNCFURIBFGJBSAX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.19
Rot. Bonds3

About 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid

3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid (PubChem CID 117390924) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
PubChem CID117390924
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid
SMILESNC(CC(=O)O)c1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C14H13N3O2/c15-11(6-14(18)19)8-1-2-12-10(5-8)9-3-4-16-7-13(9)17-12/h1-5,7,11,17H,6,15H2,(H,18,19)
InChIKeyNCFURIBFGJBSAX-UHFFFAOYSA-N
XLogP2.19
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
The IUPAC name of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid (CID 117390924) is 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid is NC(CC(=O)O)c1ccc2[nH]c3cnccc3c2c1.
What is the InChIKey of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
The InChIKey is NCFURIBFGJBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-11(6-14(18)19)8-1-2-12-10(5-8)9-3-4-16-7-13(9)17-12/h1-5,7,11,17H,6,15H2,(H,18,19).
What are the key properties of 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid?
3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid has a molecular weight of 255.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(9H-pyrido[3,4-b]indol-6-yl)propanoic acid is sourced from PubChem (CID 117390924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).