4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid

C16H23NO3 — CID 82349635

IUPAC4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid
SMILESCc1ccc(C)c(C(O)C(CCC(=O)O)NC2CC2)c1
InChIInChI=1S/C16H23NO3/c1-10-3-4-11(2)13(9-10)16(20)14(7-8-15(18)19)17-12-5-6-12/h3-4,9,12,14,16-17,20H,5-8H2,1-2H3,(H,18,19)
InChIKeySHSVSZZYUSCYPG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.32
Rot. Bonds7

About 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid

4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid (PubChem CID 82349635) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid
PubChem CID82349635
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid
SMILESCc1ccc(C)c(C(O)C(CCC(=O)O)NC2CC2)c1
InChIInChI=1S/C16H23NO3/c1-10-3-4-11(2)13(9-10)16(20)14(7-8-15(18)19)17-12-5-6-12/h3-4,9,12,14,16-17,20H,5-8H2,1-2H3,(H,18,19)
InChIKeySHSVSZZYUSCYPG-UHFFFAOYSA-N
XLogP2.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dimethylphenyl)-5-hydroxy-4-(2-methylpropylamino)pentanoic acid
CID 82349627
4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 82349437
4-(cyclopropylamino)-5-hydroxy-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 82348288
3-(tert-butylamino)-4-(2,5-dimethylphenyl)-4-hydroxybutanoic acid
CID 82349551
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951
4-(2,5-dimethylphenyl)-4-hydroxy-3-(1-hydroxybutan-2-ylamino)butanoic acid
CID 82349563
N-cyclopropyl-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 62070690
5-(2,5-dimethylphenyl)-5-(methylamino)pentanoic acid
CID 116953082
2-chloro-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62224597
2-(cyclopentylamino)-2-(2,5-dimethylphenyl)ethanol
CID 54977603
5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide
CID 112516850
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 82313718

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid?
The IUPAC name of 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid (CID 82349635) is 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid.
What is the SMILES notation for 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid?
The canonical SMILES for 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid is Cc1ccc(C)c(C(O)C(CCC(=O)O)NC2CC2)c1.
What is the InChIKey of 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid?
The InChIKey is SHSVSZZYUSCYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-3-4-11(2)13(9-10)16(20)14(7-8-15(18)19)17-12-5-6-12/h3-4,9,12,14,16-17,20H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid?
4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-5-(2,5-dimethylphenyl)-5-hydroxypentanoic acid is sourced from PubChem (CID 82349635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).