ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate

C10H21NO3 — CID 63038885

IUPACethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCCOC(=O)C(N)CCOC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-13-9(12)8(11)6-7-14-10(2,3)4/h8H,5-7,11H2,1-4H3
InChIKeyDEOFTTGTTLMCOY-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.08
Rot. Bonds5

About ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate

ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate (PubChem CID 63038885) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate
PubChem CID63038885
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Nameethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate
SMILESCCOC(=O)C(N)CCOC(C)(C)C
InChIInChI=1S/C10H21NO3/c1-5-13-9(12)8(11)6-7-14-10(2,3)4/h8H,5-7,11H2,1-4H3
InChIKeyDEOFTTGTTLMCOY-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate?
The IUPAC name of ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate (CID 63038885) is ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate?
The canonical SMILES for ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate is CCOC(=O)C(N)CCOC(C)(C)C.
What is the InChIKey of ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate?
The InChIKey is DEOFTTGTTLMCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-13-9(12)8(11)6-7-14-10(2,3)4/h8H,5-7,11H2,1-4H3.
What are the key properties of ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate?
ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate has a molecular weight of 203.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[(2-methylpropan-2-yl)oxy]butanoate is sourced from PubChem (CID 63038885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).