4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid

C21H26N2O4 — CID 122027128

IUPAC4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C21H26N2O4/c24-19(14-17-9-5-2-6-10-17)15-22-21(27)23-18(11-12-20(25)26)13-16-7-3-1-4-8-16/h1-10,18-19,24H,11-15H2,(H,25,26)(H2,22,23,27)
InChIKeyBRTUOANSHUSOPO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.37
Rot. Bonds10

About 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid

4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122027128) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122027128
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C21H26N2O4/c24-19(14-17-9-5-2-6-10-17)15-22-21(27)23-18(11-12-20(25)26)13-16-7-3-1-4-8-16/h1-10,18-19,24H,11-15H2,(H,25,26)(H2,22,23,27)
InChIKeyBRTUOANSHUSOPO-UHFFFAOYSA-N
XLogP2.37
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(2-methoxy-3,3-dimethylbutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028284
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028274
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
CID 122011533
4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoylamino]-5-phenylpentanoic acid
CID 122004564
5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
CID 122009852
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid (CID 122027128) is 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is BRTUOANSHUSOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-19(14-17-9-5-2-6-10-17)15-22-21(27)23-18(11-12-20(25)26)13-16-7-3-1-4-8-16/h1-10,18-19,24H,11-15H2,(H,25,26)(H2,22,23,27).
What are the key properties of 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 370.45 g/mol, XLogP of 2.37, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).