4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid

C19H28N2O4 — CID 122005755

IUPAC4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOC1CC(NC(=O)NC(CCC(=O)O)Cc2ccccc2)C1(C)C
InChIInChI=1S/C19H28N2O4/c1-19(2)15(12-16(19)25-3)21-18(24)20-14(9-10-17(22)23)11-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyZVCNBTBCDJGSQL-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.58
Rot. Bonds8

About 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid

4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122005755) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122005755
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
SMILESCOC1CC(NC(=O)NC(CCC(=O)O)Cc2ccccc2)C1(C)C
InChIInChI=1S/C19H28N2O4/c1-19(2)15(12-16(19)25-3)21-18(24)20-14(9-10-17(22)23)11-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,22,23)(H2,20,21,24)
InChIKeyZVCNBTBCDJGSQL-UHFFFAOYSA-N
XLogP2.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013677
(2S)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119343152
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[[(3-methoxyspiro[3.3]heptan-1-yl)-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027453
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
4-[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]-5-phenylpentanoic acid
CID 122016121
4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122028162
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid (CID 122005755) is 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid is COC1CC(NC(=O)NC(CCC(=O)O)Cc2ccccc2)C1(C)C.
What is the InChIKey of 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is ZVCNBTBCDJGSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2)15(12-16(19)25-3)21-18(24)20-14(9-10-17(22)23)11-13-7-5-4-6-8-13/h4-8,14-16H,9-12H2,1-3H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid?
4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 348.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122005755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).