4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid

C22H26N2O4 — CID 122027910

IUPAC4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1(CO)Cc2ccccc2C1
InChIInChI=1S/C22H26N2O4/c25-15-22(13-17-8-4-5-9-18(17)14-22)24-21(28)23-19(10-11-20(26)27)12-16-6-2-1-3-7-16/h1-9,19,25H,10-15H2,(H,26,27)(H2,23,24,28)
InChIKeyOORMMOZVBDWCBE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.29
Rot. Bonds8

About 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid

4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122027910) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
PubChem CID122027910
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1(CO)Cc2ccccc2C1
InChIInChI=1S/C22H26N2O4/c25-15-22(13-17-8-4-5-9-18(17)14-22)24-21(28)23-19(10-11-20(26)27)12-16-6-2-1-3-7-16/h1-9,19,25H,10-15H2,(H,26,27)(H2,23,24,28)
InChIKeyOORMMOZVBDWCBE-UHFFFAOYSA-N
XLogP2.29
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027410
4-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027630
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122028162
4-(1-hydroxybut-3-en-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027620
4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027603
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid (CID 122027910) is 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NC1(CO)Cc2ccccc2C1.
What is the InChIKey of 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is OORMMOZVBDWCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-15-22(13-17-8-4-5-9-18(17)14-22)24-21(28)23-19(10-11-20(26)27)12-16-6-2-1-3-7-16/h1-9,19,25H,10-15H2,(H,26,27)(H2,23,24,28).
What are the key properties of 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid?
4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 382.46 g/mol, XLogP of 2.29, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).