(2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid

C14H18N2O2 — CID 141019663

IUPAC(2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid
SMILESC[C@H]1C[C@@H](N)c2cc3c(cc2N1C(=O)O)CCC3
InChIInChI=1S/C14H18N2O2/c1-8-5-12(15)11-6-9-3-2-4-10(9)7-13(11)16(8)14(17)18/h6-8,12H,2-5,15H2,1H3,(H,17,18)/t8-,12+/m0/s1
InChIKeyRXXVFLBZJDCTCW-QPUJVOFHSA-N
MW246.31 g/mol
LogP2.45
Rot. Bonds

About (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid

(2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid (PubChem CID 141019663) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid
PubChem CID141019663
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid
SMILESC[C@H]1C[C@@H](N)c2cc3c(cc2N1C(=O)O)CCC3
InChIInChI=1S/C14H18N2O2/c1-8-5-12(15)11-6-9-3-2-4-10(9)7-13(11)16(8)14(17)18/h6-8,12H,2-5,15H2,1H3,(H,17,18)/t8-,12+/m0/s1
InChIKeyRXXVFLBZJDCTCW-QPUJVOFHSA-N
XLogP2.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid (CID 141019663) is (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid is C[C@H]1C[C@@H](N)c2cc3c(cc2N1C(=O)O)CCC3.
What is the InChIKey of (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid?
The InChIKey is RXXVFLBZJDCTCW-QPUJVOFHSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-8-5-12(15)11-6-9-3-2-4-10(9)7-13(11)16(8)14(17)18/h6-8,12H,2-5,15H2,1H3,(H,17,18)/t8-,12+/m0/s1.
What are the key properties of (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid?
(2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid is sourced from PubChem (CID 141019663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).