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

C15H19NO3 — CID 106892445

IUPAC4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
SMILESCC(CNC(=O)C1Cc2ccccc2C1)CC(=O)O
InChIInChI=1S/C15H19NO3/c1-10(6-14(17)18)9-16-15(19)13-7-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKAHMUDUPVIVMLC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.63
Rot. Bonds5

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

4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid (PubChem CID 106892445) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
PubChem CID106892445
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
SMILESCC(CNC(=O)C1Cc2ccccc2C1)CC(=O)O
InChIInChI=1S/C15H19NO3/c1-10(6-14(17)18)9-16-15(19)13-7-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyKAHMUDUPVIVMLC-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-methylbutanoic acid
CID 81064741
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370
N-(4-bromo-2-methylbutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894277
3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
CID 106892468
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703911
N-(2-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894304
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
CID 106892454
3-methyl-4-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 120536964
N-(3-bromobutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894268
N-(2-bromo-3-methoxypropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894260
N-(5-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703980

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid (CID 106892445) is 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid is CC(CNC(=O)C1Cc2ccccc2C1)CC(=O)O.
What is the InChIKey of 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid?
The InChIKey is KAHMUDUPVIVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(6-14(17)18)9-16-15(19)13-7-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid?
4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 106892445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).