(2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid

C15H19N3O2 — CID 122369704

IUPAC(2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid
SMILESN[C@@H](Cc1c2c(n3ccccc13)CCC[C@@H]2N)C(=O)O
InChIInChI=1S/C15H19N3O2/c16-10-4-3-6-13-14(10)9(8-11(17)15(19)20)12-5-1-2-7-18(12)13/h1-2,5,7,10-11H,3-4,6,8,16-17H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyCLJHESFFMYCLLJ-QWRGUYRKSA-N
MW273.34 g/mol
LogP1.23
Rot. Bonds3

About (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid

(2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid (PubChem CID 122369704) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid
PubChem CID122369704
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid
SMILESN[C@@H](Cc1c2c(n3ccccc13)CCC[C@@H]2N)C(=O)O
InChIInChI=1S/C15H19N3O2/c16-10-4-3-6-13-14(10)9(8-11(17)15(19)20)12-5-1-2-7-18(12)13/h1-2,5,7,10-11H,3-4,6,8,16-17H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyCLJHESFFMYCLLJ-QWRGUYRKSA-N
XLogP1.23
TPSA93.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-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 (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid (CID 122369704) is (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid is N[C@@H](Cc1c2c(n3ccccc13)CCC[C@@H]2N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
The InChIKey is CLJHESFFMYCLLJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-10-4-3-6-13-14(10)9(8-11(17)15(19)20)12-5-1-2-7-18(12)13/h1-2,5,7,10-11H,3-4,6,8,16-17H2,(H,19,20)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid?
(2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid has a molecular weight of 273.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(1S)-1-amino-1,2,3,4-tetrahydropyrido[1,2-a]indol-10-yl]propanoic acid is sourced from PubChem (CID 122369704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).