3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid

C8H14N2O5 — CID 560349

IUPAC3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
SMILESCCOC(=O)CNC(=O)C(N)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-15-7(13)4-10-8(14)5(9)3-6(11)12/h5H,2-4,9H2,1H3,(H,10,14)(H,11,12)
InChIKeyNTBVACMJEFJHPY-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.53
Rot. Bonds6

About 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid

3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid (PubChem CID 560349) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
PubChem CID560349
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
SMILESCCOC(=O)CNC(=O)C(N)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-2-15-7(13)4-10-8(14)5(9)3-6(11)12/h5H,2-4,9H2,1H3,(H,10,14)(H,11,12)
InChIKeyNTBVACMJEFJHPY-UHFFFAOYSA-N
XLogP-1.53
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107568770
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ethyl 2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetate
CID 10319675
(2-ethoxy-2-oxoethyl)carbamic acid
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3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
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3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 104761265
3-amino-4-(ethoxyamino)-4-oxobutanoic acid
CID 64974788
ethyl 2-[(2,2-difluoroacetyl)amino]acetate
CID 103514329
ethyl 2-[[(2S)-2-(carbamoylamino)propanoyl]amino]acetate
CID 101162412
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
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3-amino-4-(2,2-dimethoxyethylamino)-4-oxobutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid (CID 560349) is 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid is CCOC(=O)CNC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
The InChIKey is NTBVACMJEFJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-2-15-7(13)4-10-8(14)5(9)3-6(11)12/h5H,2-4,9H2,1H3,(H,10,14)(H,11,12).
What are the key properties of 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 560349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).