methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate

C16H23NO4 — CID 82348405

IUPACmethyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate
SMILESCOC(=O)CCC(NC1CC1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-20-13-7-3-11(4-8-13)16(19)14(17-12-5-6-12)9-10-15(18)21-2/h3-4,7-8,12,14,16-17,19H,5-6,9-10H2,1-2H3
InChIKeyCRESWUHXBYWWPV-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.80
Rot. Bonds8

About methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate

methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate (PubChem CID 82348405) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate
PubChem CID82348405
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate
SMILESCOC(=O)CCC(NC1CC1)C(O)c1ccc(OC)cc1
InChIInChI=1S/C16H23NO4/c1-20-13-7-3-11(4-8-13)16(19)14(17-12-5-6-12)9-10-15(18)21-2/h3-4,7-8,12,14,16-17,19H,5-6,9-10H2,1-2H3
InChIKeyCRESWUHXBYWWPV-UHFFFAOYSA-N
XLogP1.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-hydroxy-5-(4-methoxyphenyl)-4-(propylamino)pentanoate
CID 82348400
4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 82348288
methyl 5-(4-chlorophenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347944
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
methyl 5-(4-ethylphenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347788
methyl 4-(tert-butylamino)-5-hydroxy-5-(4-methylphenyl)pentanoate
CID 82347574
methyl 3-amino-4-hydroxy-4-(4-methoxyphenyl)butanoate
CID 82348360
N-[(1S,2S)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411973
N-[(1S,2R)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411974
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538154
methyl 4-hydroxy-3-(3-hydroxypropylamino)-4-(4-methoxyphenyl)butanoate
CID 82348348
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate?
The IUPAC name of methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate (CID 82348405) is methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate.
What is the SMILES notation for methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate?
The canonical SMILES for methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate is COC(=O)CCC(NC1CC1)C(O)c1ccc(OC)cc1.
What is the InChIKey of methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate?
The InChIKey is CRESWUHXBYWWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-13-7-3-11(4-8-13)16(19)14(17-12-5-6-12)9-10-15(18)21-2/h3-4,7-8,12,14,16-17,19H,5-6,9-10H2,1-2H3.
What are the key properties of methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate?
methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate has a molecular weight of 293.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate is sourced from PubChem (CID 82348405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).