4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid

C13H19NO3 — CID 107862309

IUPAC4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(7-8-13(16)17)14-12(9-15)11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyOYARJTBZYGXEPI-TVKKRMFBSA-N
MW237.30 g/mol
LogP1.56
Rot. Bonds7

About 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid

4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid (PubChem CID 107862309) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
PubChem CID107862309
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(7-8-13(16)17)14-12(9-15)11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyOYARJTBZYGXEPI-TVKKRMFBSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butan-2-ylamino)-4-phenylbutanoic acid
CID 79694517
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
(2R)-2-(4-methoxybutan-2-ylamino)-2-phenylethanol
CID 103788815
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
4-[[(2S)-2-phenylpropanoyl]amino]pentanoic acid
CID 120689373
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
(2S)-2-(1-cyclopropylpropan-2-ylamino)-2-phenylethanol
CID 103784069
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid?
The IUPAC name of 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid (CID 107862309) is 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid?
The canonical SMILES for 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid is CC(CCC(=O)O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid?
The InChIKey is OYARJTBZYGXEPI-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(7-8-13(16)17)14-12(9-15)11-5-3-2-4-6-11/h2-6,10,12,14-15H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1.
What are the key properties of 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid?
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid is sourced from PubChem (CID 107862309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).