(1-amino-2-phenylpropyl) 2-hydroxybenzoate

C16H17NO3 — CID 175312215

IUPAC(1-amino-2-phenylpropyl) 2-hydroxybenzoate
SMILESCC(c1ccccc1)C(N)OC(=O)c1ccccc1O
InChIInChI=1S/C16H17NO3/c1-11(12-7-3-2-4-8-12)15(17)20-16(19)13-9-5-6-10-14(13)18/h2-11,15,18H,17H2,1H3
InChIKeyWEFSAAXSCUIKMG-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.64
Rot. Bonds4

About (1-amino-2-phenylpropyl) 2-hydroxybenzoate

(1-amino-2-phenylpropyl) 2-hydroxybenzoate (PubChem CID 175312215) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-amino-2-phenylpropyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(1-amino-2-phenylpropyl) 2-hydroxybenzoate
PubChem CID175312215
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(1-amino-2-phenylpropyl) 2-hydroxybenzoate
SMILESCC(c1ccccc1)C(N)OC(=O)c1ccccc1O
InChIInChI=1S/C16H17NO3/c1-11(12-7-3-2-4-8-12)15(17)20-16(19)13-9-5-6-10-14(13)18/h2-11,15,18H,17H2,1H3
InChIKeyWEFSAAXSCUIKMG-UHFFFAOYSA-N
XLogP2.64
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenylpropyl 2-hydroxybenzoate
CID 101286985
[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
CID 151967003
1-phenylpropan-2-yl 2-hydroxybenzoate
CID 139897029
(2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid
CID 57112618
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
CID 7797799
[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
CID 7890575
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960
2-aminopropanoic acid;2-hydroxybenzoic acid
CID 175151085
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797953
acetic acid;1-(ethylamino)ethyl 2-hydroxybenzoate
CID 174870580
(5S)-2-amino-3-(3,4-dihydroxyphenyl)-5-(2-hydroxybenzoyl)oxyhexanoic acid
CID 67214946
1,3-dihydroxypropan-2-yl 2-hydroxybenzoate
CID 23654554

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-phenylpropyl) 2-hydroxybenzoate?
The IUPAC name of (1-amino-2-phenylpropyl) 2-hydroxybenzoate (CID 175312215) is (1-amino-2-phenylpropyl) 2-hydroxybenzoate.
What is the SMILES notation for (1-amino-2-phenylpropyl) 2-hydroxybenzoate?
The canonical SMILES for (1-amino-2-phenylpropyl) 2-hydroxybenzoate is CC(c1ccccc1)C(N)OC(=O)c1ccccc1O.
What is the InChIKey of (1-amino-2-phenylpropyl) 2-hydroxybenzoate?
The InChIKey is WEFSAAXSCUIKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(12-7-3-2-4-8-12)15(17)20-16(19)13-9-5-6-10-14(13)18/h2-11,15,18H,17H2,1H3.
What are the key properties of (1-amino-2-phenylpropyl) 2-hydroxybenzoate?
(1-amino-2-phenylpropyl) 2-hydroxybenzoate has a molecular weight of 271.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-phenylpropyl) 2-hydroxybenzoate is sourced from PubChem (CID 175312215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).