2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid

C17H23NO2 — CID 15957475

IUPAC2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCCC2c3ccccc3NC21
InChIInChI=1S/C17H23NO2/c1-2-9-17(11-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18-16(13)17/h3-4,6,8,13,16,18H,2,5,7,9-11H2,1H3,(H,19,20)
InChIKeyPZMOYEVAALNVIG-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.01
Rot. Bonds4

About 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid

2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid (PubChem CID 15957475) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
PubChem CID15957475
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
SMILESCCCC1(CC(=O)O)CCCC2c3ccccc3NC21
InChIInChI=1S/C17H23NO2/c1-2-9-17(11-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18-16(13)17/h3-4,6,8,13,16,18H,2,5,7,9-11H2,1H3,(H,19,20)
InChIKeyPZMOYEVAALNVIG-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid?
The IUPAC name of 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid (CID 15957475) is 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid.
What is the SMILES notation for 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid?
The canonical SMILES for 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid is CCCC1(CC(=O)O)CCCC2c3ccccc3NC21.
What is the InChIKey of 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid?
The InChIKey is PZMOYEVAALNVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-9-17(11-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18-16(13)17/h3-4,6,8,13,16,18H,2,5,7,9-11H2,1H3,(H,19,20).
What are the key properties of 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid?
2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid has a molecular weight of 273.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid is sourced from PubChem (CID 15957475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).