methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate

C9H18N2O4 — CID 119344189

IUPACmethyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate
SMILESCOCC(C)(CC(=O)OC)NC(=O)CN
InChIInChI=1S/C9H18N2O4/c1-9(6-14-2,4-8(13)15-3)11-7(12)5-10/h4-6,10H2,1-3H3,(H,11,12)
InChIKeySBLYQGAZOFHCGA-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.97
Rot. Bonds6

About methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate

methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate (PubChem CID 119344189) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate
PubChem CID119344189
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Namemethyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate
SMILESCOCC(C)(CC(=O)OC)NC(=O)CN
InChIInChI=1S/C9H18N2O4/c1-9(6-14-2,4-8(13)15-3)11-7(12)5-10/h4-6,10H2,1-3H3,(H,11,12)
InChIKeySBLYQGAZOFHCGA-UHFFFAOYSA-N
XLogP-0.97
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-ethyl 4-O-methyl (2S)-2-acetamido-2-methylbutanedioate
CID 14019434
Diethyl 2-[(2-aminoacetyl)amino]butanedioate
CID 23394639
[2-[[2-[(1,4-Diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 59381508
Diethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]butanedioate
CID 59381509
[2-[(1,4-Diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]azanium
CID 59381550
diethyl (2S)-2-(2-aminopropanoylamino)butanedioate
CID 87466899
diethyl (2S)-2-[(2-aminoacetyl)amino]butanedioate
CID 87587703
dimethyl (2S)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanedioate
CID 90106321
dimethyl (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]butanedioate
CID 141623804
bis(2-methylpropyl) (2S)-2-[[(2R)-2-aminopropanoyl]amino]butanedioate
CID 146563175
bis(2-methylpropyl) (2S)-2-[[(2S)-2-aminopropanoyl]amino]butanedioate
CID 146563580
bis(2-methylpropyl) (2S)-2-[(2-aminoacetyl)amino]butanedioate
CID 155259535

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate?
The IUPAC name of methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate (CID 119344189) is methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate.
What is the SMILES notation for methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate?
The canonical SMILES for methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate is COCC(C)(CC(=O)OC)NC(=O)CN.
What is the InChIKey of methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate?
The InChIKey is SBLYQGAZOFHCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(6-14-2,4-8(13)15-3)11-7(12)5-10/h4-6,10H2,1-3H3,(H,11,12).
What are the key properties of methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate?
methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate has a molecular weight of 218.25 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate is sourced from PubChem (CID 119344189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).