2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid

C15H21NO5 — CID 54846837

IUPAC2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cccc(CC(NC(C)=O)C(=O)O)c1OC(C)C
InChIInChI=1S/C15H21NO5/c1-9(2)21-14-11(6-5-7-13(14)20-4)8-12(15(18)19)16-10(3)17/h5-7,9,12H,8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySHIVLPHZMPKWLS-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.61
Rot. Bonds7

About 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid

2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid (PubChem CID 54846837) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
PubChem CID54846837
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cccc(CC(NC(C)=O)C(=O)O)c1OC(C)C
InChIInChI=1S/C15H21NO5/c1-9(2)21-14-11(6-5-7-13(14)20-4)8-12(15(18)19)16-10(3)17/h5-7,9,12H,8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeySHIVLPHZMPKWLS-UHFFFAOYSA-N
XLogP1.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-acetamido-3-[(2-methoxyphenyl)methylsulfonyl]propanoic acid
CID 107768303
2-acetamido-3-(2-butoxyphenyl)propanoic acid
CID 54846912
2-acetamido-3-(3,4-dimethoxy-2-pyridinyl)propanoic acid
CID 103173065
(2S)-2-acetamido-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 6710868
2-acetamido-3-(2-methoxyphenoxy)propanoic acid
CID 65443160
4-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]benzoic acid
CID 120509415
2-acetamido-3-(2-iodophenyl)propanoic acid
CID 90399104
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
2-acetamido-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanoic acid
CID 81387678
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid (CID 54846837) is 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid is COc1cccc(CC(NC(C)=O)C(=O)O)c1OC(C)C.
What is the InChIKey of 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is SHIVLPHZMPKWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9(2)21-14-11(6-5-7-13(14)20-4)8-12(15(18)19)16-10(3)17/h5-7,9,12H,8H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid?
2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 54846837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).