2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid

C14H20ClNO3 — CID 82312991

IUPAC2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
SMILESCCCC(NC(C)C(O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO3/c1-3-4-12(14(18)19)16-9(2)13(17)10-5-7-11(15)8-6-10/h5-9,12-13,16-17H,3-4H2,1-2H3,(H,18,19)
InChIKeyRJMUVCKYOVFZNL-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.60
Rot. Bonds7

About 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid

2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid (PubChem CID 82312991) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
PubChem CID82312991
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
SMILESCCCC(NC(C)C(O)c1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C14H20ClNO3/c1-3-4-12(14(18)19)16-9(2)13(17)10-5-7-11(15)8-6-10/h5-9,12-13,16-17H,3-4H2,1-2H3,(H,18,19)
InChIKeyRJMUVCKYOVFZNL-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

2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
CID 82312104
2-[1-(4-chlorophenyl)ethylamino]hexanoic acid
CID 103244944
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
2-[(4-chlorophenyl)methylamino]pentanoic acid
CID 43631664
2-(4-chlorophenyl)-4-methylheptanoic acid
CID 79434395
1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
2-[(4-chlorophenyl)-hydroxymethyl]butanoic acid
CID 62396823
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82312954
2-(benzhydrylamino)pentanoic acid
CID 65055273
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid (CID 82312991) is 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid is CCCC(NC(C)C(O)c1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid?
The InChIKey is RJMUVCKYOVFZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-4-12(14(18)19)16-9(2)13(17)10-5-7-11(15)8-6-10/h5-9,12-13,16-17H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid?
2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]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 2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid is sourced from PubChem (CID 82312991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).