2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid

C16H21NO4 — CID 92922769

IUPAC2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid
SMILESCC(C)(COc1ccc2c(c1)CCC2)C(=O)NCC(=O)O
InChIInChI=1S/C16H21NO4/c1-16(2,15(20)17-9-14(18)19)10-21-13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYANMPAICVYHQAL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.78
Rot. Bonds6

About 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid

2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid (PubChem CID 92922769) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid
PubChem CID92922769
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid
SMILESCC(C)(COc1ccc2c(c1)CCC2)C(=O)NCC(=O)O
InChIInChI=1S/C16H21NO4/c1-16(2,15(20)17-9-14(18)19)10-21-13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5,9-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYANMPAICVYHQAL-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid with MolForge

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Related Compounds

2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
CID 61261141
2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
CID 63920955
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
N,2,2-trimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 79628455
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-ethylbutane-1-sulfonyl chloride
CID 65004081
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid (CID 92922769) is 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid is CC(C)(COc1ccc2c(c1)CCC2)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid?
The InChIKey is YANMPAICVYHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,15(20)17-9-14(18)19)10-21-13-7-6-11-4-3-5-12(11)8-13/h6-8H,3-5,9-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid?
2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid is sourced from PubChem (CID 92922769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).