2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid

C11H23NO3 — CID 114999201

IUPAC2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
SMILESCCN(C(C)C)C(C)(CCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-12(9(2)3)11(4,10(13)14)7-8-15-5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyGXZMJAPZQQRBHK-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds7

About 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid

2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid (PubChem CID 114999201) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
PubChem CID114999201
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
SMILESCCN(C(C)C)C(C)(CCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-12(9(2)3)11(4,10(13)14)7-8-15-5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyGXZMJAPZQQRBHK-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(ditert-butylamino)butanedioic acid
CID 22818492
Trimethylhomoserine
CID 87376375
4-Methoxy-2-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 115001119
2-[Bis(2-methoxyethyl)amino]-3-methylbutanoic acid
CID 10966405
(2S)-2-[carboxymethyl(2-methoxyethyl)amino]butanedioic acid
CID 18661402
2-(Ditert-butylamino)butanedioic acid
CID 18677030
2-[(1-Carboxy-3-methoxy-3-oxopropyl)-(1,2-dicarboxyethyl)amino]butanedioic acid
CID 20768418
2-[Bis(2-ethoxyethyl)amino]-4-ethoxybutanoic acid
CID 21873263
2-[Bis(2-methoxyethyl)amino]-4-methoxybutanoic acid
CID 21873264
2-[Bis(2-methoxyethyl)amino]-4-ethoxybutanoic acid
CID 21873283
2-[Bis(2-ethoxyethyl)amino]-4-methoxybutanoic acid
CID 21873287
2-[Ethyl(dimethyl)azaniumyl]-4-hydroxy-2-methyl-4-oxobutanoate
CID 21917851

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid (CID 114999201) is 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid is CCN(C(C)C)C(C)(CCOC)C(=O)O.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid?
The InChIKey is GXZMJAPZQQRBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-12(9(2)3)11(4,10(13)14)7-8-15-5/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid?
2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid is sourced from PubChem (CID 114999201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).