4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid

C19H28N2O4 — CID 122027588

IUPAC4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC(CO)CC1CCC1
InChIInChI=1S/C19H28N2O4/c22-13-17(12-15-7-4-8-15)21-19(25)20-16(9-10-18(23)24)11-14-5-2-1-3-6-14/h1-3,5-6,15-17,22H,4,7-13H2,(H,23,24)(H2,20,21,25)
InChIKeyYSLQDYULRPKORV-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.31
Rot. Bonds10

About 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122027588) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122027588
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC(CO)CC1CCC1
InChIInChI=1S/C19H28N2O4/c22-13-17(12-15-7-4-8-15)21-19(25)20-16(9-10-18(23)24)11-14-5-2-1-3-6-14/h1-3,5-6,15-17,22H,4,7-13H2,(H,23,24)(H2,20,21,25)
InChIKeyYSLQDYULRPKORV-UHFFFAOYSA-N
XLogP2.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.31
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
4-(1-hydroxybut-3-en-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027620
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 120546751
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
5-phenyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 122012389

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122027588) is 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NC(CO)CC1CCC1.
What is the InChIKey of 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is YSLQDYULRPKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-13-17(12-15-7-4-8-15)21-19(25)20-16(9-10-18(23)24)11-14-5-2-1-3-6-14/h1-3,5-6,15-17,22H,4,7-13H2,(H,23,24)(H2,20,21,25).
What are the key properties of 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.31, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).