4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid

C20H27N3O4 — CID 122013672

IUPAC4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1CCC(=O)NC12CCC2
InChIInChI=1S/C20H27N3O4/c24-17-9-8-16(20(23-17)11-4-12-20)22-19(27)21-15(7-10-18(25)26)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,23,24)(H,25,26)(H2,21,22,27)
InChIKeyGVNHHNRNZRKCOR-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.96
Rot. Bonds7

About 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122013672) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122013672
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)NC1CCC(=O)NC12CCC2
InChIInChI=1S/C20H27N3O4/c24-17-9-8-16(20(23-17)11-4-12-20)22-19(27)21-15(7-10-18(25)26)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,23,24)(H,25,26)(H2,21,22,27)
InChIKeyGVNHHNRNZRKCOR-UHFFFAOYSA-N
XLogP1.96
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013677
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122005755
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]-5-phenylpentanoic acid
CID 122016121
4-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122006783
5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid
CID 122007006
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
4-[(1-cyclobutyl-3-hydroxypropan-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122027588

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122013672) is 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)NC1CCC(=O)NC12CCC2.
What is the InChIKey of 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is GVNHHNRNZRKCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-17-9-8-16(20(23-17)11-4-12-20)22-19(27)21-15(7-10-18(25)26)13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,23,24)(H,25,26)(H2,21,22,27).
What are the key properties of 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 373.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122013672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).