(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid

C8H14N2O5 — CID 107821565

IUPAC(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
SMILESCOC(C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(15-2)7(12)10-5(8(13)14)3-6(9)11/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14)/t4?,5-/m1/s1
InChIKeyKESPNOKQQLHECP-BRJRFNKRSA-N
MW218.21 g/mol
LogP-1.53
Rot. Bonds6

About (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid

(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid (PubChem CID 107821565) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
PubChem CID107821565
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
SMILESCOC(C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(15-2)7(12)10-5(8(13)14)3-6(9)11/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14)/t4?,5-/m1/s1
InChIKeyKESPNOKQQLHECP-BRJRFNKRSA-N
XLogP-1.53
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

(2R)-5-amino-2-(2-methoxypropanoylamino)-5-oxopentanoic acid
CID 107830111
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639
4-amino-2-[[2-methyl-3-(methylamino)propanoyl]amino]-4-oxobutanoic acid
CID 79202743
(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid
CID 107824629
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
(2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid
CID 107821409
4-amino-4-oxo-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43357173
4-amino-2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoic acid
CID 18233436
4-amino-2-(2-methylsulfonylpropanoylamino)-4-oxobutanoic acid
CID 104517415
4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
(2S)-2-[(3-acetamidosulfanyl-2-methylpropanoyl)amino]-4-amino-4-oxobutanoic acid
CID 57208651
4-amino-2-[(2-amino-4-methoxybutanoyl)amino]-4-oxobutanoic acid
CID 55080631

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid (CID 107821565) is (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid is COC(C)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid?
The InChIKey is KESPNOKQQLHECP-BRJRFNKRSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-4(15-2)7(12)10-5(8(13)14)3-6(9)11/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)(H,13,14)/t4?,5-/m1/s1.
What are the key properties of (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid?
(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 107821565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).