4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid

C21H24N2O3 — CID 122010016

IUPAC4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C21H24N2O3/c24-20(25)11-10-18(12-15-6-2-1-3-7-15)22-21(26)23-19-13-16-8-4-5-9-17(16)14-19/h1-9,18-19H,10-14H2,(H,24,25)(H2,22,23,26)
InChIKeyCTTORTBNYSDSKK-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.93
Rot. Bonds7

About 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid

4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid (PubChem CID 122010016) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
PubChem CID122010016
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C21H24N2O3/c24-20(25)11-10-18(12-15-6-2-1-3-7-15)22-21(26)23-19-13-16-8-4-5-9-17(16)14-19/h1-9,18-19H,10-14H2,(H,24,25)(H2,22,23,26)
InChIKeyCTTORTBNYSDSKK-UHFFFAOYSA-N
XLogP2.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]-5-phenylpentanoic acid
CID 122016121
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 122006817
4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122027910
4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013677
5-phenyl-4-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoylamino]pentanoic acid
CID 122009464
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
CID 107843016
5-phenyl-4-[[(2R,4R)-2-pyridin-2-yloxan-4-yl]carbamoylamino]pentanoic acid
CID 122016696
4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid (CID 122010016) is 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NC1Cc2ccccc2C1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid?
The InChIKey is CTTORTBNYSDSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(25)11-10-18(12-15-6-2-1-3-7-15)22-21(26)23-19-13-16-8-4-5-9-17(16)14-19/h1-9,18-19H,10-14H2,(H,24,25)(H2,22,23,26).
What are the key properties of 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid?
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid has a molecular weight of 352.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122010016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).