2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid

C15H19NO4 — CID 120688590

IUPAC2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1cccc2c1CCC2)C(=O)O
InChIInChI=1S/C15H19NO4/c1-15(9-20-2,14(18)19)16-13(17)12-8-4-6-10-5-3-7-11(10)12/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXCUWMZSGZKELQN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.39
Rot. Bonds5

About 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid

2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid (PubChem CID 120688590) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
PubChem CID120688590
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1cccc2c1CCC2)C(=O)O
InChIInChI=1S/C15H19NO4/c1-15(9-20-2,14(18)19)16-13(17)12-8-4-6-10-5-3-7-11(10)12/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyXCUWMZSGZKELQN-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
3-(2,3-dihydro-1H-indene-4-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 126778215
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
N-[1-(methoxymethyl)cyclobutyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126798197
3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120531726
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531764
3-(2,3-dihydro-1H-indene-4-carbonylamino)-4,5-dimethoxybenzoic acid
CID 120686720
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
2-(2,3-dihydro-1H-indene-4-carbonylamino)-2-(3-methoxyphenyl)acetic acid
CID 136552069
N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 119037635

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid (CID 120688590) is 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(=O)c1cccc2c1CCC2)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid?
The InChIKey is XCUWMZSGZKELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(9-20-2,14(18)19)16-13(17)12-8-4-6-10-5-3-7-11(10)12/h4,6,8H,3,5,7,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid?
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120688590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).