4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid

C16H21NO4 — CID 82348296

IUPAC4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)C(CCC(=O)O)NC2CC2)cc1C
InChIInChI=1S/C16H21NO4/c1-10-9-11(3-7-14(10)21-2)16(20)13(6-8-15(18)19)17-12-4-5-12/h3,7,9,12-13,17H,4-6,8H2,1-2H3,(H,18,19)
InChIKeyMWNLEYQFNHKJGZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.17
Rot. Bonds8

About 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid

4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid (PubChem CID 82348296) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid
PubChem CID82348296
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid
SMILESCOc1ccc(C(=O)C(CCC(=O)O)NC2CC2)cc1C
InChIInChI=1S/C16H21NO4/c1-10-9-11(3-7-14(10)21-2)16(20)13(6-8-15(18)19)17-12-4-5-12/h3,7,9,12-13,17H,4-6,8H2,1-2H3,(H,18,19)
InChIKeyMWNLEYQFNHKJGZ-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 82322506
3-(cyclopropylamino)-4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid
CID 82322560
4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 82348288
methyl 3-(cyclopropylamino)-4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 82347625
3-(cyclopropylamino)-4-(4-fluoro-3-methylphenyl)-4-oxobutanoic acid
CID 82322744
methyl 3-(cyclopropylamino)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 82349976
methyl 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-oxopentanoate
CID 82349658
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate
CID 82348268
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
CID 129094735
methyl 3-amino-4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 82348273

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid?
The IUPAC name of 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid (CID 82348296) is 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid?
The canonical SMILES for 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid is COc1ccc(C(=O)C(CCC(=O)O)NC2CC2)cc1C.
What is the InChIKey of 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid?
The InChIKey is MWNLEYQFNHKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-9-11(3-7-14(10)21-2)16(20)13(6-8-15(18)19)17-12-4-5-12/h3,7,9,12-13,17H,4-6,8H2,1-2H3,(H,18,19).
What are the key properties of 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid?
4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82348296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).