3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid

C15H18N2O2 — CID 98008228

IUPAC3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
SMILESN[C@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1
InChIInChI=1S/C15H18N2O2/c16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17(14)8-7-15(18)19/h1-4,10H,5-9,16H2,(H,18,19)/t10-/m0/s1
InChIKeyRRWZRHNYCZSEBR-JTQLQIEISA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds3

About 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid

3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid (PubChem CID 98008228) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
PubChem CID98008228
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
SMILESN[C@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1
InChIInChI=1S/C15H18N2O2/c16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17(14)8-7-15(18)19/h1-4,10H,5-9,16H2,(H,18,19)/t10-/m0/s1
InChIKeyRRWZRHNYCZSEBR-JTQLQIEISA-N
XLogP1.93
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid?
The IUPAC name of 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid (CID 98008228) is 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid.
What is the SMILES notation for 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid?
The canonical SMILES for 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid is N[C@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1.
What is the InChIKey of 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid?
The InChIKey is RRWZRHNYCZSEBR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2O2/c16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17(14)8-7-15(18)19/h1-4,10H,5-9,16H2,(H,18,19)/t10-/m0/s1.
What are the key properties of 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid?
3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid is sourced from PubChem (CID 98008228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).