2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid

C8H16N2O4 — CID 123966527

IUPAC2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid
SMILESCCOCC(=O)NCCC(N)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-14-5-7(11)10-4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyVPNJXSCOLODVHA-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.06
Rot. Bonds7

About 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid

2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid (PubChem CID 123966527) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid
PubChem CID123966527
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid
SMILESCCOCC(=O)NCCC(N)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-14-5-7(11)10-4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyVPNJXSCOLODVHA-UHFFFAOYSA-N
XLogP-1.06
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminopentyl)-2-ethoxyacetamide
CID 106122279
(2S)-2-amino-4-(3,3-dimethylbutanoylamino)butanoic acid
CID 88580674
(2S)-2-amino-4-[3-(methylamino)propanoylamino]butanoic acid
CID 87358924
3-[(2-ethoxyacetyl)amino]propanamide
CID 64591348
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
CID 107833755
(2S)-6-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-aminohexanoic acid
CID 134198402
2-amino-2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-2-oxoethoxy]acetic acid
CID 141122061
(2S)-2-amino-4-(methylcarbamoylamino)butanoic acid
CID 87289621

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid (CID 123966527) is 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid is CCOCC(=O)NCCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid?
The InChIKey is VPNJXSCOLODVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-14-5-7(11)10-4-3-6(9)8(12)13/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid?
2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-ethoxyacetyl)amino]butanoic acid is sourced from PubChem (CID 123966527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).