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

C17H23NO3 — CID 120685931

IUPAC3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cccc2c1CCC2
InChIInChI=1S/C17H23NO3/c1-12(2)11-18(10-9-16(19)20)17(21)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,12H,3,5,7,9-11H2,1-2H3,(H,19,20)
InChIKeyNXUZTWOUFSDUAJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.75
Rot. Bonds6

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

3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid (PubChem CID 120685931) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid
PubChem CID120685931
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)c1cccc2c1CCC2
InChIInChI=1S/C17H23NO3/c1-12(2)11-18(10-9-16(19)20)17(21)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,12H,3,5,7,9-11H2,1-2H3,(H,19,20)
InChIKeyNXUZTWOUFSDUAJ-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120686044
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
2-[2-acetamidoethyl(2,3-dihydro-1H-indene-4-carbonyl)amino]propanoic acid
CID 120974149
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190719
3-[(2-chloro-4,5-dimethylbenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 120516410
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
3-[2-methylpropyl-[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120516436
3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
CID 119189971
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119113350

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid (CID 120685931) is 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)c1cccc2c1CCC2.
What is the InChIKey of 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid?
The InChIKey is NXUZTWOUFSDUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)11-18(10-9-16(19)20)17(21)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,12H,3,5,7,9-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid?
3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 120685931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).