3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid

C17H21NO2 — CID 129405053

IUPAC3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid
SMILESCn1c2c(c3ccccc31)CCC[C@]2(C)CCC(=O)O
InChIInChI=1S/C17H21NO2/c1-17(11-9-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18(2)16(13)17/h3-4,6,8H,5,7,9-11H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeySRQVYJWIPBLELC-QGZVFWFLSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds3

About 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid

3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid (PubChem CID 129405053) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid
PubChem CID129405053
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid
SMILESCn1c2c(c3ccccc31)CCC[C@]2(C)CCC(=O)O
InChIInChI=1S/C17H21NO2/c1-17(11-9-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18(2)16(13)17/h3-4,6,8H,5,7,9-11H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeySRQVYJWIPBLELC-QGZVFWFLSA-N
XLogP3.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid?
The IUPAC name of 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid (CID 129405053) is 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid?
The canonical SMILES for 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid is Cn1c2c(c3ccccc31)CCC[C@]2(C)CCC(=O)O.
What is the InChIKey of 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid?
The InChIKey is SRQVYJWIPBLELC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(11-9-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18(2)16(13)17/h3-4,6,8H,5,7,9-11H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid?
3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid is sourced from PubChem (CID 129405053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).