2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid

C16H20N2O2 — CID 67206176

IUPAC2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
SMILESCCC(C(=O)O)n1c2c(c3ccccc31)C[C@H](N)CC2
InChIInChI=1S/C16H20N2O2/c1-2-13(16(19)20)18-14-6-4-3-5-11(14)12-9-10(17)7-8-15(12)18/h3-6,10,13H,2,7-9,17H2,1H3,(H,19,20)/t10-,13?/m1/s1
InChIKeyMJPWEKFDELUSJG-VUUHIHSGSA-N
MW272.35 g/mol
LogP2.49
Rot. Bonds3

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

2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid (PubChem CID 67206176) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid.

Molecular Properties

Compound Name2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
PubChem CID67206176
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
SMILESCCC(C(=O)O)n1c2c(c3ccccc31)C[C@H](N)CC2
InChIInChI=1S/C16H20N2O2/c1-2-13(16(19)20)18-14-6-4-3-5-11(14)12-9-10(17)7-8-15(12)18/h3-6,10,13H,2,7-9,17H2,1H3,(H,19,20)/t10-,13?/m1/s1
InChIKeyMJPWEKFDELUSJG-VUUHIHSGSA-N
XLogP2.49
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
CID 67204415
2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204490
2-[(3R)-3-(3-phenylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206539
3-[(3S)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 98008228
2-[6-fluoro-3-[methyl(3-phenylpropanoyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67207218
2-[6-fluoro-3-[(2-phenoxyacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204857
2-[(3S)-3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205117
2-[3-[3,3-diphenylpropanoyl(2-methoxyethyl)amino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204820
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
2-[3-[3-(2-chlorophenyl)propanoylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206699
2-[3-[(2-chlorophenyl)methylcarbamoyl-methylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206636
2-[(7R)-7-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]pentanoic acid
CID 67309970

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The IUPAC name of 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid (CID 67206176) is 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid.
What is the SMILES notation for 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The canonical SMILES for 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid is CCC(C(=O)O)n1c2c(c3ccccc31)C[C@H](N)CC2.
What is the InChIKey of 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The InChIKey is MJPWEKFDELUSJG-VUUHIHSGSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-13(16(19)20)18-14-6-4-3-5-11(14)12-9-10(17)7-8-15(12)18/h3-6,10,13H,2,7-9,17H2,1H3,(H,19,20)/t10-,13?/m1/s1.
What are the key properties of 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid has a molecular weight of 272.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid is sourced from PubChem (CID 67206176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).