3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid

C14H19NO5 — CID 82324912

IUPAC3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)N(CCC(=O)O)CC(C)O
InChIInChI=1S/C14H19NO5/c1-10(16)9-15(8-7-13(17)18)14(19)11-5-3-4-6-12(11)20-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyZDRHOSICDFDVJX-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.99
Rot. Bonds7

About 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid

3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid (PubChem CID 82324912) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
PubChem CID82324912
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccccc1C(=O)N(CCC(=O)O)CC(C)O
InChIInChI=1S/C14H19NO5/c1-10(16)9-15(8-7-13(17)18)14(19)11-5-3-4-6-12(11)20-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyZDRHOSICDFDVJX-UHFFFAOYSA-N
XLogP0.99
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-2-methoxybenzamide
CID 112508973
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 82324930
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907
2-[2-carboxyethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324908
3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
CID 82325107
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid (CID 82324912) is 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid is COc1ccccc1C(=O)N(CCC(=O)O)CC(C)O.
What is the InChIKey of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid?
The InChIKey is ZDRHOSICDFDVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10(16)9-15(8-7-13(17)18)14(19)11-5-3-4-6-12(11)20-2/h3-6,10,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid?
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).