4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid

C15H22N2O5 — CID 122028316

IUPAC4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC(CO)CO
InChIInChI=1S/C15H22N2O5/c18-9-13(10-19)17-15(22)16-12(6-7-14(20)21)8-11-4-2-1-3-5-11/h1-5,12-13,18-19H,6-10H2,(H,20,21)(H2,16,17,22)
InChIKeyAHJJKZMRNZEQFL-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.11
Rot. Bonds9

About 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid

4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid (PubChem CID 122028316) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
PubChem CID122028316
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC(CO)CO
InChIInChI=1S/C15H22N2O5/c18-9-13(10-19)17-15(22)16-12(6-7-14(20)21)8-11-4-2-1-3-5-11/h1-5,12-13,18-19H,6-10H2,(H,20,21)(H2,16,17,22)
InChIKeyAHJJKZMRNZEQFL-UHFFFAOYSA-N
XLogP0.11
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxybut-3-en-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027620
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
CID 122009996
4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122027910
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid (CID 122028316) is 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NC(CO)CO.
What is the InChIKey of 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid?
The InChIKey is AHJJKZMRNZEQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c18-9-13(10-19)17-15(22)16-12(6-7-14(20)21)8-11-4-2-1-3-5-11/h1-5,12-13,18-19H,6-10H2,(H,20,21)(H2,16,17,22).
What are the key properties of 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid?
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid has a molecular weight of 310.35 g/mol, XLogP of 0.11, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122028316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).