2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid

C10H21NO3 — CID 175562257

IUPAC2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid
SMILESCOCCN(C)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-10(2,3)8(9(12)13)11(4)6-7-14-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyKAPBKXZMMLUQQC-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.06
Rot. Bonds5

About 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid

2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 175562257) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid
PubChem CID175562257
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid
SMILESCOCCN(C)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H21NO3/c1-10(2,3)8(9(12)13)11(4)6-7-14-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyKAPBKXZMMLUQQC-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-2-methylbutanoic acid
CID 79407111
2-[2-methoxyethyl(methyl)amino]-4-methylpentanoic acid
CID 18426364
tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 167208112
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
(2R)-2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927982
2-[2-methoxyethyl(methyl)amino]butanamide
CID 62900283
2-[[3-methoxypropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62996165
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820777
1-methoxy-3-[2-methoxyethyl(pentan-3-yl)amino]propan-2-one
CID 107507210

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid (CID 175562257) is 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid is COCCN(C)C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is KAPBKXZMMLUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(2,3)8(9(12)13)11(4)6-7-14-5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid?
2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 175562257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).