2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid

C9H17NO5 — CID 115910312

IUPAC2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCOCC(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C9H17NO5/c1-4-15-5-7(11)10-9(2,6-14-3)8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyLDKJMUKSFAHIFA-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.37
Rot. Bonds7

About 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid

2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 115910312) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
PubChem CID115910312
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
SMILESCCOCC(=O)NC(C)(COC)C(=O)O
InChIInChI=1S/C9H17NO5/c1-4-15-5-7(11)10-9(2,6-14-3)8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyLDKJMUKSFAHIFA-UHFFFAOYSA-N
XLogP-0.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-butan-2-yloxyacetyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531922
2-(3,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910285
2-[(2-ethoxyacetyl)amino]-2-ethylbutanoic acid
CID 79806522
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]propanoic acid
CID 120531700
2-(2,3-dimethylpentanoylamino)-3-methoxy-2-methylpropanoic acid
CID 120531855
N-(1-bromo-2-methylpropan-2-yl)-2-ethoxyacetamide
CID 114308041
2-(2,3-dimethylbutanoylamino)-3-methoxy-2-methylpropanoic acid
CID 115910298
2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid
CID 79473096
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
CID 120531785
2-[[(2E)-hexa-2,4-dienoyl]amino]-3-methoxy-2-methylpropanoic acid
CID 103925883

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid (CID 115910312) is 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid is CCOCC(=O)NC(C)(COC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is LDKJMUKSFAHIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-4-15-5-7(11)10-9(2,6-14-3)8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid?
2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyacetyl)amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 115910312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).