2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid

C16H21NO3 — CID 120686044

IUPAC2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccc2c1CCC2
InChIInChI=1S/C16H21NO3/c1-11(2)9-17(10-15(18)19)16(20)14-8-4-6-12-5-3-7-13(12)14/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyGBIYJOFCFYHAKM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.36
Rot. Bonds5

About 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid

2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid (PubChem CID 120686044) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
PubChem CID120686044
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccc2c1CCC2
InChIInChI=1S/C16H21NO3/c1-11(2)9-17(10-15(18)19)16(20)14-8-4-6-12-5-3-7-13(12)14/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,18,19)
InChIKeyGBIYJOFCFYHAKM-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid (CID 120686044) is 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1cccc2c1CCC2.
What is the InChIKey of 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid?
The InChIKey is GBIYJOFCFYHAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)9-17(10-15(18)19)16(20)14-8-4-6-12-5-3-7-13(12)14/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid?
2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 120686044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).