4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid

C19H27N3O4 — CID 122013677

IUPAC4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1(C)NC(=O)CCC1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H27N3O4/c1-19(2)15(9-10-16(23)22-19)21-18(26)20-14(8-11-17(24)25)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeySWNKTBRLHLXOHE-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.82
Rot. Bonds7

About 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122013677) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122013677
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1(C)NC(=O)CCC1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H27N3O4/c1-19(2)15(9-10-16(23)22-19)21-18(26)20-14(8-11-17(24)25)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeySWNKTBRLHLXOHE-UHFFFAOYSA-N
XLogP1.82
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672
4-[(3-methoxy-2,2-dimethylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122005755
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]-5-phenylpentanoic acid
CID 122016121
4-[(4-methylthiolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122014034
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 122006817
4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122028162
5-phenyl-4-(4,5,6,7-tetrahydro-1H-indazol-7-ylcarbamoylamino)pentanoic acid
CID 122007006

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122013677) is 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid is CC1(C)NC(=O)CCC1NC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is SWNKTBRLHLXOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-19(2)15(9-10-16(23)22-19)21-18(26)20-14(8-11-17(24)25)12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,22,23)(H,24,25)(H2,20,21,26).
What are the key properties of 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 361.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122013677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).