2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid

C14H16N2O2 — CID 83984535

IUPAC2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid
SMILESCNC(C(=O)O)c1c[nH]c2cc3c(cc12)CCC3
InChIInChI=1S/C14H16N2O2/c1-15-13(14(17)18)11-7-16-12-6-9-4-2-3-8(9)5-10(11)12/h5-7,13,15-16H,2-4H2,1H3,(H,17,18)
InChIKeyHEOOHAOLKHFULT-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.00
Rot. Bonds3

About 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid

2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid (PubChem CID 83984535) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid
PubChem CID83984535
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid
SMILESCNC(C(=O)O)c1c[nH]c2cc3c(cc12)CCC3
InChIInChI=1S/C14H16N2O2/c1-15-13(14(17)18)11-7-16-12-6-9-4-2-3-8(9)5-10(11)12/h5-7,13,15-16H,2-4H2,1H3,(H,17,18)
InChIKeyHEOOHAOLKHFULT-UHFFFAOYSA-N
XLogP2.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid (CID 83984535) is 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid is CNC(C(=O)O)c1c[nH]c2cc3c(cc12)CCC3.
What is the InChIKey of 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid?
The InChIKey is HEOOHAOLKHFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-13(14(17)18)11-7-16-12-6-9-4-2-3-8(9)5-10(11)12/h5-7,13,15-16H,2-4H2,1H3,(H,17,18).
What are the key properties of 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid?
2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid has a molecular weight of 244.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)acetic acid is sourced from PubChem (CID 83984535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).