3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid

C13H17NO5 — CID 82324969

IUPAC3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)N(CCO)CCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-19-11-4-2-10(3-5-11)13(18)14(8-9-15)7-6-12(16)17/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeySMTIFFIPCQBJAU-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.60
Rot. Bonds7

About 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid

3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid (PubChem CID 82324969) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid
PubChem CID82324969
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid
SMILESCOc1ccc(C(=O)N(CCO)CCC(=O)O)cc1
InChIInChI=1S/C13H17NO5/c1-19-11-4-2-10(3-5-11)13(18)14(8-9-15)7-6-12(16)17/h2-5,15H,6-9H2,1H3,(H,16,17)
InChIKeySMTIFFIPCQBJAU-UHFFFAOYSA-N
XLogP0.60
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
3-[2-hydroxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 82324694
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N,N-dibutyl-4-methoxybenzamide
CID 2163395
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
4-(difluoromethoxy)-N,N-bis(2-hydroxyethyl)benzamide
CID 60653738
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
3-[benzoyl(3-methoxypropyl)amino]propanoic acid
CID 82324502
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid (CID 82324969) is 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid is COc1ccc(C(=O)N(CCO)CCC(=O)O)cc1.
What is the InChIKey of 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid?
The InChIKey is SMTIFFIPCQBJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-19-11-4-2-10(3-5-11)13(18)14(8-9-15)7-6-12(16)17/h2-5,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid?
3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).