4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid

C18H26N2O4 — CID 122028162

IUPAC4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1OCCC1(C)NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O4/c1-13-18(2,10-11-24-13)20-17(23)19-15(8-9-16(21)22)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyZSVJJJPUDGYZIV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.33
Rot. Bonds7

About 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122028162) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122028162
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1OCCC1(C)NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O4/c1-13-18(2,10-11-24-13)20-17(23)19-15(8-9-16(21)22)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyZSVJJJPUDGYZIV-UHFFFAOYSA-N
XLogP2.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027410
4-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027630
4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122027910
4-[[1-(hydroxymethyl)-2-phenylcyclopropyl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027603
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(1-methylsulfonylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122012564
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122005755
4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013677

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122028162) is 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid is CC1OCCC1(C)NC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is ZSVJJJPUDGYZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-18(2,10-11-24-13)20-17(23)19-15(8-9-16(21)22)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 334.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).