3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid

C15H21NO5 — CID 82325211

IUPAC3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(CC(=O)N(CCO)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-11(15(19)20)10-16(7-8-17)14(18)9-12-3-5-13(21-2)6-4-12/h3-6,11,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyLZARXHMKXPQOPL-UHFFFAOYSA-N
MW295.33 g/mol
LogP0.78
Rot. Bonds8

About 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid

3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 82325211) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
PubChem CID82325211
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
SMILESCOc1ccc(CC(=O)N(CCO)CC(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-11(15(19)20)10-16(7-8-17)14(18)9-12-3-5-13(21-2)6-4-12/h3-6,11,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyLZARXHMKXPQOPL-UHFFFAOYSA-N
XLogP0.78
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid
CID 82325734
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 62032808
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
CID 82325138
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-(4-methoxyphenyl)acetamide
CID 107493334
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-[4-(difluoromethoxy)phenyl]-N,N-bis(2-hydroxyethyl)acetamide
CID 60682190
N-(2-hydroxyethyl)-2-(4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612506
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400
3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82323422

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid (CID 82325211) is 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid is COc1ccc(CC(=O)N(CCO)CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is LZARXHMKXPQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-11(15(19)20)10-16(7-8-17)14(18)9-12-3-5-13(21-2)6-4-12/h3-6,11,17H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid?
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 295.33 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).