2-ethoxyethyl 2-amino-3-methylbutanoate

C9H19NO3 — CID 61276999

IUPAC2-ethoxyethyl 2-amino-3-methylbutanoate
SMILESCCOCCOC(=O)C(N)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-12-5-6-13-9(11)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3
InChIKeyHGUAVAMNCJPCSD-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.55
Rot. Bonds6

About 2-ethoxyethyl 2-amino-3-methylbutanoate

2-ethoxyethyl 2-amino-3-methylbutanoate (PubChem CID 61276999) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-ethoxyethyl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-amino-3-methylbutanoate
PubChem CID61276999
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-ethoxyethyl 2-amino-3-methylbutanoate
SMILESCCOCCOC(=O)C(N)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-12-5-6-13-9(11)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3
InChIKeyHGUAVAMNCJPCSD-UHFFFAOYSA-N
XLogP0.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
dodecyl 2-amino-3-methylbutanoate
CID 6453804
(2R)-2-amino-N,N-bis(2-ethoxyethyl)-3-methylbutanamide
CID 82966284
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
2-(methylamino)ethyl 2-amino-3-methylbutanoate
CID 72523693
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
3-iodopropyl (2R)-2-amino-3-methylbutanoate
CID 90070653

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-amino-3-methylbutanoate?
The IUPAC name of 2-ethoxyethyl 2-amino-3-methylbutanoate (CID 61276999) is 2-ethoxyethyl 2-amino-3-methylbutanoate.
What is the SMILES notation for 2-ethoxyethyl 2-amino-3-methylbutanoate?
The canonical SMILES for 2-ethoxyethyl 2-amino-3-methylbutanoate is CCOCCOC(=O)C(N)C(C)C.
What is the InChIKey of 2-ethoxyethyl 2-amino-3-methylbutanoate?
The InChIKey is HGUAVAMNCJPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-12-5-6-13-9(11)8(10)7(2)3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-ethoxyethyl 2-amino-3-methylbutanoate?
2-ethoxyethyl 2-amino-3-methylbutanoate has a molecular weight of 189.25 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-amino-3-methylbutanoate is sourced from PubChem (CID 61276999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).