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

C16H21NO3 — CID 106892468

IUPAC3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO3/c1-10(2)14(9-15(18)19)17-16(20)13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGPQADZYEDOSXOC-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.02
Rot. Bonds5

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

3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid (PubChem CID 106892468) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
PubChem CID106892468
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO3/c1-10(2)14(9-15(18)19)17-16(20)13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGPQADZYEDOSXOC-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
CID 106892454
N-(1-hydroxy-4-methylpentan-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106352920
4-(2,3-dihydro-1H-indene-2-carbonylamino)-3-methylbutanoic acid
CID 106892445
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289
N-(4-amino-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894375
3-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]pentanoic acid
CID 106892446
(2S)-2-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methoxy-4-oxobutanoic acid
CID 106892384
3-(2,3-dihydro-1H-indene-2-carbonylamino)-2-methylpropanoic acid
CID 106892370
N-(1-chloro-3-methylbutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114305640
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894254
N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106354878

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid?
The IUPAC name of 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid (CID 106892468) is 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid?
The canonical SMILES for 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid is CC(C)C(CC(=O)O)NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid?
The InChIKey is GPQADZYEDOSXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(2)14(9-15(18)19)17-16(20)13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid?
3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indene-2-carbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 106892468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).