5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid

C14H20ClNO3 — CID 82347917

IUPAC5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(CCC(=O)O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-9(2)16-12(7-8-13(17)18)14(19)10-3-5-11(15)6-4-10/h3-6,9,12,14,16,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyJFTSFOWYVMUDHP-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.60
Rot. Bonds7

About 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid

5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid (PubChem CID 82347917) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
PubChem CID82347917
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(CCC(=O)O)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO3/c1-9(2)16-12(7-8-13(17)18)14(19)10-3-5-11(15)6-4-10/h3-6,9,12,14,16,19H,7-8H2,1-2H3,(H,17,18)
InChIKeyJFTSFOWYVMUDHP-UHFFFAOYSA-N
XLogP2.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(4-chlorophenyl)-5-hydroxy-4-(methylamino)pentanoate
CID 82347944
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
5-(4-tert-butylphenyl)-5-hydroxy-4-(methylamino)pentanoic acid
CID 82348185
4-(ethylamino)-5-hydroxy-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 82349333
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
CID 67999647
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
CID 82312991
(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 93470492
4-(4-chlorophenyl)sulfanylpentanoic acid
CID 62213263
4-(4-chlorophenyl)-4-[4-(2-methylpropanoyloxy)butoxycarbonylamino]butanoic acid
CID 66753844
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid (CID 82347917) is 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid is CC(C)NC(CCC(=O)O)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid?
The InChIKey is JFTSFOWYVMUDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(2)16-12(7-8-13(17)18)14(19)10-3-5-11(15)6-4-10/h3-6,9,12,14,16,19H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid?
5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid has a molecular weight of 285.77 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-hydroxy-4-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 82347917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).