2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid

C14H21NO3 — CID 82312104

IUPAC2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(C)C(O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-3-7-12(14(17)18)15-10(2)13(16)11-8-5-4-6-9-11/h4-6,8-10,12-13,15-16H,3,7H2,1-2H3,(H,17,18)
InChIKeyXAOPLSSZJGNEHT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds7

About 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid

2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid (PubChem CID 82312104) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
PubChem CID82312104
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(C)C(O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-3-7-12(14(17)18)15-10(2)13(16)11-8-5-4-6-9-11/h4-6,8-10,12-13,15-16H,3,7H2,1-2H3,(H,17,18)
InChIKeyXAOPLSSZJGNEHT-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]amino]pentanoic acid
CID 82312991
2-(benzhydrylamino)pentanoic acid
CID 65055273
2-[[furan-2-yl(phenyl)methyl]amino]pentanoic acid
CID 65055569
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]pentanoic acid
CID 83041861
(2R)-2-(2-methylpentanoylamino)-2-phenylacetic acid
CID 61144889
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
(2S)-2-anilinopentanoic acid
CID 22847649
(1R,2S,4S)-1-hydroxy-4-[(R)-hydroxy(phenyl)methyl]-2-methyl-1-phenylheptan-3-one
CID 177426345
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid (CID 82312104) is 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid is CCCC(NC(C)C(O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid?
The InChIKey is XAOPLSSZJGNEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-7-12(14(17)18)15-10(2)13(16)11-8-5-4-6-9-11/h4-6,8-10,12-13,15-16H,3,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid?
2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 82312104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).