methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate

C17H23NO3 — CID 166283041

IUPACmethyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H23NO3/c1-12(17(20)21-2)18-16(19)5-3-4-13-6-8-14(9-7-13)15-10-11-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyPPONEYNVBDEUCQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.56
Rot. Bonds7

About methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate

methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate (PubChem CID 166283041) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate
PubChem CID166283041
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H23NO3/c1-12(17(20)21-2)18-16(19)5-3-4-13-6-8-14(9-7-13)15-10-11-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,19)
InChIKeyPPONEYNVBDEUCQ-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[5-(4-methylphenyl)pentanoylamino]propanoate
CID 86865868
2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide
CID 166252359
4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide
CID 166253146
2-[(2S)-2-[4-(4-iodophenyl)butanoylamino]propanoyl]oxyacetic acid
CID 177221402
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402
methyl 2-(pentanoylamino)propanoate
CID 541659
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
1,7-bis[4-(4-propanoylcyclohexyl)phenyl]heptan-4-one
CID 70445056
methyl 2-[[3-phenyl-2-(6-phenylhexanoylamino)propanoyl]amino]propanoate
CID 123314292
methyl (2S)-5-(hydroxyamino)-2-[4-(4-methylphenyl)butanoylamino]-5-oxopentanoate
CID 91067270
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate?
The IUPAC name of methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate (CID 166283041) is methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate.
What is the SMILES notation for methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate?
The canonical SMILES for methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate is COC(=O)C(C)NC(=O)CCCc1ccc(C2CC2)cc1.
What is the InChIKey of methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate?
The InChIKey is PPONEYNVBDEUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(17(20)21-2)18-16(19)5-3-4-13-6-8-14(9-7-13)15-10-11-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate?
methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate has a molecular weight of 289.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate is sourced from PubChem (CID 166283041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).