4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid

C16H23NO4 — CID 82348288

IUPAC4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid
SMILESCOc1ccc(C(O)C(CCC(=O)O)NC2CC2)cc1C
InChIInChI=1S/C16H23NO4/c1-10-9-11(3-7-14(10)21-2)16(20)13(6-8-15(18)19)17-12-4-5-12/h3,7,9,12-13,16-17,20H,4-6,8H2,1-2H3,(H,18,19)
InChIKeySEBHQFUCNVXBJP-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.02
Rot. Bonds8

About 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid

4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid (PubChem CID 82348288) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid
PubChem CID82348288
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid
SMILESCOc1ccc(C(O)C(CCC(=O)O)NC2CC2)cc1C
InChIInChI=1S/C16H23NO4/c1-10-9-11(3-7-14(10)21-2)16(20)13(6-8-15(18)19)17-12-4-5-12/h3,7,9,12-13,16-17,20H,4-6,8H2,1-2H3,(H,18,19)
InChIKeySEBHQFUCNVXBJP-UHFFFAOYSA-N
XLogP2.02
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylamino)-5-(4-methoxy-3-methylphenyl)-5-oxopentanoic acid
CID 82348296
4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid
CID 82349635
methyl 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 82348405
3-(cyclopropylamino)-4-(4-methoxy-3-methylphenyl)-4-oxobutanoic acid
CID 82322506
4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 82349437
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496
1-(4-methoxy-3-methylphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82313813
2-(cycloheptylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132634
5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanamide
CID 112510105
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
3-chloro-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 82366779
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The IUPAC name of 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid (CID 82348288) is 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid.
What is the SMILES notation for 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The canonical SMILES for 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid is COc1ccc(C(O)C(CCC(=O)O)NC2CC2)cc1C.
What is the InChIKey of 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid?
The InChIKey is SEBHQFUCNVXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-9-11(3-7-14(10)21-2)16(20)13(6-8-15(18)19)17-12-4-5-12/h3,7,9,12-13,16-17,20H,4-6,8H2,1-2H3,(H,18,19).
What are the key properties of 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid?
4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid is sourced from PubChem (CID 82348288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).