4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid

C17H26N2O4 — CID 122027461

IUPAC4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
SMILESCCC(NC(=O)NC(CCC(=O)O)Cc1ccccc1)C(C)O
InChIInChI=1S/C17H26N2O4/c1-3-15(12(2)20)19-17(23)18-14(9-10-16(21)22)11-13-7-5-4-6-8-13/h4-8,12,14-15,20H,3,9-11H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeyUXIPWNFUEHILMY-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.92
Rot. Bonds9

About 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid

4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid (PubChem CID 122027461) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
PubChem CID122027461
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
SMILESCCC(NC(=O)NC(CCC(=O)O)Cc1ccccc1)C(C)O
InChIInChI=1S/C17H26N2O4/c1-3-15(12(2)20)19-17(23)18-14(9-10-16(21)22)11-13-7-5-4-6-8-13/h4-8,12,14-15,20H,3,9-11H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeyUXIPWNFUEHILMY-UHFFFAOYSA-N
XLogP1.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.92
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-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
CID 122009996
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028274
4-[[(1S)-1-(3-hydroxyphenyl)ethyl]carbamoylamino]-5-phenylpentanoic acid
CID 122011972
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid (CID 122027461) is 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid is CCC(NC(=O)NC(CCC(=O)O)Cc1ccccc1)C(C)O.
What is the InChIKey of 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid?
The InChIKey is UXIPWNFUEHILMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-15(12(2)20)19-17(23)18-14(9-10-16(21)22)11-13-7-5-4-6-8-13/h4-8,12,14-15,20H,3,9-11H2,1-2H3,(H,21,22)(H2,18,19,23).
What are the key properties of 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid?
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid has a molecular weight of 322.40 g/mol, XLogP of 1.92, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122027461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).