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

C8H15NO4 — CID 62675487

IUPAC3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
SMILESCCOCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-5-7(10)9-4-6(2)8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyROCLQNNHHZKHCW-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.14
Rot. Bonds6

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

3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid (PubChem CID 62675487) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
PubChem CID62675487
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
SMILESCCOCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-5-7(10)9-4-6(2)8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyROCLQNNHHZKHCW-UHFFFAOYSA-N
XLogP-0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
CID 107833755
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
2-ethoxy-N-(2-ethoxypropyl)acetamide
CID 115648995
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
methyl 2-chloro-3-[(2-ethoxyacetyl)amino]propanoate
CID 103492943
3-[bis(2-ethoxyethyl)carbamoylamino]-2-methylpropanoic acid
CID 82960063
2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid
CID 123966527
N-(2-chloro-4,4-dimethylpentyl)-2-ethoxyacetamide
CID 107156886
3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
CID 47003074

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid (CID 62675487) is 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid is CCOCC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid?
The InChIKey is ROCLQNNHHZKHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-13-5-7(10)9-4-6(2)8(11)12/h6H,3-5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid?
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).