2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid

C12H15NO5 — CID 66166052

IUPAC2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
SMILESCOc1ccc(C)cc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C12H15NO5/c1-7-3-4-10(18-2)8(5-7)11(15)13-6-9(14)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCYHXIRYUCWTYKR-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.18
Rot. Bonds5

About 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid

2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid (PubChem CID 66166052) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
PubChem CID66166052
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
SMILESCOc1ccc(C)cc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C12H15NO5/c1-7-3-4-10(18-2)8(5-7)11(15)13-6-9(14)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCYHXIRYUCWTYKR-UHFFFAOYSA-N
XLogP0.18
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-iodo-3-[(2-methoxy-5-methylbenzoyl)amino]propanoate
CID 103493302
3-[[(2-methoxy-5-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065883
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64994334
2-methoxy-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301929
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid (CID 66166052) is 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid is COc1ccc(C)cc1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid?
The InChIKey is CYHXIRYUCWTYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7-3-4-10(18-2)8(5-7)11(15)13-6-9(14)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid?
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 66166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).