2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid

C13H18N2O2 — CID 10130874

IUPAC2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid
SMILESCNc1cccc2c1CC(CN)(CC(=O)O)C2
InChIInChI=1S/C13H18N2O2/c1-15-11-4-2-3-9-5-13(8-14,6-10(9)11)7-12(16)17/h2-4,15H,5-8,14H2,1H3,(H,16,17)
InChIKeyALVMUTGCMBSVHL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.25
Rot. Bonds4

About 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid

2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 10130874) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid
PubChem CID10130874
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid
SMILESCNc1cccc2c1CC(CN)(CC(=O)O)C2
InChIInChI=1S/C13H18N2O2/c1-15-11-4-2-3-9-5-13(8-14,6-10(9)11)7-12(16)17/h2-4,15H,5-8,14H2,1H3,(H,16,17)
InChIKeyALVMUTGCMBSVHL-UHFFFAOYSA-N
XLogP1.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid (CID 10130874) is 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid is CNc1cccc2c1CC(CN)(CC(=O)O)C2.
What is the InChIKey of 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is ALVMUTGCMBSVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15-11-4-2-3-9-5-13(8-14,6-10(9)11)7-12(16)17/h2-4,15H,5-8,14H2,1H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid?
2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 234.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-(methylamino)-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 10130874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).