(2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid

C16H15NO5 — CID 57112618

IUPAC(2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(OC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C16H15NO5/c1-11(12-7-3-2-4-8-12)17(16(20)21)22-15(19)13-9-5-6-10-14(13)18/h2-11,18H,1H3,(H,20,21)
InChIKeyGIHCOHDWXNTAFJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.21
Rot. Bonds3

About (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid

(2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid (PubChem CID 57112618) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid.

Molecular Properties

Compound Name(2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid
PubChem CID57112618
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(OC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C16H15NO5/c1-11(12-7-3-2-4-8-12)17(16(20)21)22-15(19)13-9-5-6-10-14(13)18/h2-11,18H,1H3,(H,20,21)
InChIKeyGIHCOHDWXNTAFJ-UHFFFAOYSA-N
XLogP3.21
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-amino-2-phenylpropyl) 2-hydroxybenzoate
CID 175312215
(2S)-3-hydroxy-2-[(2-hydroxybenzoyl)oxy-propanoylamino]propanoic acid
CID 150628336
1-phenylpropyl 2-hydroxybenzoate
CID 101286985
methyl(1-phenylethyl)carbamic acid
CID 67062794
fluoro(1-phenylethyl)carbamic acid
CID 152621646
[(2S)-2-aminopropanoyl] 2-hydroxybenzoate
CID 151967003
1-phenylpropan-2-yl 2-hydroxybenzoate
CID 139897029
(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
CID 141348519
[(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 2-hydroxybenzoate
CID 7797799
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797953
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756

Frequently Asked Questions

What is the IUPAC name of (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid?
The IUPAC name of (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid (CID 57112618) is (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid.
What is the SMILES notation for (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid?
The canonical SMILES for (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid is CC(c1ccccc1)N(OC(=O)c1ccccc1O)C(=O)O.
What is the InChIKey of (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid?
The InChIKey is GIHCOHDWXNTAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-11(12-7-3-2-4-8-12)17(16(20)21)22-15(19)13-9-5-6-10-14(13)18/h2-11,18H,1H3,(H,20,21).
What are the key properties of (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid?
(2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid has a molecular weight of 301.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxybenzoyl)oxy-(1-phenylethyl)carbamic acid is sourced from PubChem (CID 57112618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).