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

C15H21NO5 — CID 82324930

IUPAC3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1ccccc1C(=O)N(CC(C)O)CC(C)C(=O)O
InChIInChI=1S/C15H21NO5/c1-10(15(19)20)8-16(9-11(2)17)14(18)12-6-4-5-7-13(12)21-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyXSWQZDYMWSUFSA-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.24
Rot. Bonds7

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

3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid (PubChem CID 82324930) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
PubChem CID82324930
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
SMILESCOc1ccccc1C(=O)N(CC(C)O)CC(C)C(=O)O
InChIInChI=1S/C15H21NO5/c1-10(15(19)20)8-16(9-11(2)17)14(18)12-6-4-5-7-13(12)21-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20)
InChIKeyXSWQZDYMWSUFSA-UHFFFAOYSA-N
XLogP1.24
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324912
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)-2-methoxybenzamide
CID 112508973
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107207825
3-[(4-chloro-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62827749
3-[(4-fluorobenzoyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82324892
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-methoxy-N-methylbenzamide
CID 131998525
3-[carboxymethyl-(2-methoxybenzoyl)amino]propanoic acid
CID 82324907

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid (CID 82324930) is 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid is COc1ccccc1C(=O)N(CC(C)O)CC(C)C(=O)O.
What is the InChIKey of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is XSWQZDYMWSUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(15(19)20)8-16(9-11(2)17)14(18)12-6-4-5-7-13(12)21-3/h4-7,10-11,17H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid?
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.24, 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]-2-methylpropanoic acid is sourced from PubChem (CID 82324930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).