5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid

C15H19NO3 — CID 112516870

IUPAC5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid
SMILESCc1ccc(C(CCC(=O)O)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-10-2-4-11(5-3-10)13(8-9-14(17)18)15(19)16-12-6-7-12/h2-5,12-13H,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyCGDRVFPIVMZLOV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.22
Rot. Bonds6

About 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid

5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid (PubChem CID 112516870) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid
PubChem CID112516870
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid
SMILESCc1ccc(C(CCC(=O)O)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-10-2-4-11(5-3-10)13(8-9-14(17)18)15(19)16-12-6-7-12/h2-5,12-13H,6-9H2,1H3,(H,16,19)(H,17,18)
InChIKeyCGDRVFPIVMZLOV-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-5-oxo-4-(4-phenylphenyl)hexanethioamide
CID 88839722
3-[cyclopropyl-[1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 65054486
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
CID 106151335
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120687281
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
5-(ethylamino)-4-(4-fluorophenyl)-5-oxopentanoic acid
CID 112516346
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
CID 111435900
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103869698
2-amino-2-(4-methylphenyl)-N-(4-methylsulfanylcyclohexyl)acetamide
CID 106312954

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid (CID 112516870) is 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid is Cc1ccc(C(CCC(=O)O)C(=O)NC2CC2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid?
The InChIKey is CGDRVFPIVMZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-2-4-11(5-3-10)13(8-9-14(17)18)15(19)16-12-6-7-12/h2-5,12-13H,6-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid?
5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-4-(4-methylphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 112516870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).