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

C20H32N2O4 — CID 122028274

IUPAC4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC(C)C(O)C(C)(C)CNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C20H32N2O4/c1-14(2)18(25)20(3,4)13-21-19(26)22-16(10-11-17(23)24)12-15-8-6-5-7-9-15/h5-9,14,16,18,25H,10-13H2,1-4H3,(H,23,24)(H2,21,22,26)
InChIKeyUUICPZYHMPENLB-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.80
Rot. Bonds10

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

4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122028274) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122028274
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC(C)C(O)C(C)(C)CNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C20H32N2O4/c1-14(2)18(25)20(3,4)13-21-19(26)22-16(10-11-17(23)24)12-15-8-6-5-7-9-15/h5-9,14,16,18,25H,10-13H2,1-4H3,(H,23,24)(H2,21,22,26)
InChIKeyUUICPZYHMPENLB-UHFFFAOYSA-N
XLogP2.80
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-fluorophenyl)-2-hydroxypropyl]carbamoylamino]-5-phenylpentanoic acid
CID 122028240
4-[(2-methoxy-3,3-dimethylbutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028284
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122011673
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(1-phenylethyl)urea
CID 109389617
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid (CID 122028274) is 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid is CC(C)C(O)C(C)(C)CNC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is UUICPZYHMPENLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-14(2)18(25)20(3,4)13-21-19(26)22-16(10-11-17(23)24)12-15-8-6-5-7-9-15/h5-9,14,16,18,25H,10-13H2,1-4H3,(H,23,24)(H2,21,22,26).
What are the key properties of 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 364.49 g/mol, XLogP of 2.80, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).