tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate

C11H21NO5 — CID 175589320

IUPACtert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate
SMILESCOC(=O)CCOCC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(14)8(12)7-16-6-5-9(13)15-4/h8H,5-7,12H2,1-4H3
InChIKeyODFFWCFMCROWRO-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.24
Rot. Bonds6

About tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate

tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate (PubChem CID 175589320) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate
PubChem CID175589320
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nametert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate
SMILESCOC(=O)CCOCC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(14)8(12)7-16-6-5-9(13)15-4/h8H,5-7,12H2,1-4H3
InChIKeyODFFWCFMCROWRO-UHFFFAOYSA-N
XLogP0.24
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 89312273
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
tert-butyl 3-[2,3-bis[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate
CID 89312256
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate
CID 156780297
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
2-[[2-[2-[2-[[2-[2-[2-[[(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethyl-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethyl]-dimethylazanium
CID 168721477
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate?
The IUPAC name of tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate (CID 175589320) is tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate.
What is the SMILES notation for tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate?
The canonical SMILES for tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate is COC(=O)CCOCC(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate?
The InChIKey is ODFFWCFMCROWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(14)8(12)7-16-6-5-9(13)15-4/h8H,5-7,12H2,1-4H3.
What are the key properties of tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate?
tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate has a molecular weight of 247.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-(3-methoxy-3-oxopropoxy)propanoate is sourced from PubChem (CID 175589320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).