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

C24H32N2O3 — CID 67204490

IUPAC2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
SMILESCCC(C(=O)O)n1c2c(c3ccccc31)CC(NC(=O)CCC1CCCC1)CC2
InChIInChI=1S/C24H32N2O3/c1-2-20(24(28)29)26-21-10-6-5-9-18(21)19-15-17(12-13-22(19)26)25-23(27)14-11-16-7-3-4-8-16/h5-6,9-10,16-17,20H,2-4,7-8,11-15H2,1H3,(H,25,27)(H,28,29)
InChIKeyYCQBWBOWVVQHJV-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.62
Rot. Bonds7

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

2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid (PubChem CID 67204490) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid.

Molecular Properties

Compound Name2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
PubChem CID67204490
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
SMILESCCC(C(=O)O)n1c2c(c3ccccc31)CC(NC(=O)CCC1CCCC1)CC2
InChIInChI=1S/C24H32N2O3/c1-2-20(24(28)29)26-21-10-6-5-9-18(21)19-15-17(12-13-22(19)26)25-23(27)14-11-16-7-3-4-8-16/h5-6,9-10,16-17,20H,2-4,7-8,11-15H2,1H3,(H,25,27)(H,28,29)
InChIKeyYCQBWBOWVVQHJV-UHFFFAOYSA-N
XLogP4.62
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-(3-phenylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206539
2-[(3R)-3-amino-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206176
2-[3-[3-(2-chlorophenyl)propanoylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206699
2-[6-fluoro-3-[(2-phenoxyacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204857
2-[(3S)-3-[3-(2,6-dichlorophenyl)propanoylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205948
2-[(3R)-6-fluoro-3-[3-(4-methylphenyl)propanoylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67204841
2-[6-fluoro-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205486
2-[(3S)-3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205117
2-[6-fluoro-3-[3-(4-methylsulfonylphenyl)propanoylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206278
2-[3-[3-(3-chloro-1,2-oxazol-5-yl)propanoylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67427000
2-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67205799
2-[6-fluoro-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67207257

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The IUPAC name of 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid (CID 67204490) is 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid.
What is the SMILES notation for 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The canonical SMILES for 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid is CCC(C(=O)O)n1c2c(c3ccccc31)CC(NC(=O)CCC1CCCC1)CC2.
What is the InChIKey of 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The InChIKey is YCQBWBOWVVQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-2-20(24(28)29)26-21-10-6-5-9-18(21)19-15-17(12-13-22(19)26)25-23(27)14-11-16-7-3-4-8-16/h5-6,9-10,16-17,20H,2-4,7-8,11-15H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid has a molecular weight of 396.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentylpropanoylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid is sourced from PubChem (CID 67204490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).