2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid

C12H25NO3 — CID 114996785

IUPAC2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N(CCOC)CC(C)C
InChIInChI=1S/C12H25NO3/c1-6-12(4,11(14)15)13(7-8-16-5)9-10(2)3/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyPMCVZCRDLGEWTH-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.84
Rot. Bonds8

About 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid

2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid (PubChem CID 114996785) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid
PubChem CID114996785
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N(CCOC)CC(C)C
InChIInChI=1S/C12H25NO3/c1-6-12(4,11(14)15)13(7-8-16-5)9-10(2)3/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyPMCVZCRDLGEWTH-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
CID 114989592
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
CID 114995148
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999201
2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999200
2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64709529
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
3-methoxy-2-[2-methoxyethyl(2-methylpropyl)amino]propanoic acid
CID 103224638
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid (CID 114996785) is 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid is CCC(C)(C(=O)O)N(CCOC)CC(C)C.
What is the InChIKey of 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid?
The InChIKey is PMCVZCRDLGEWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-12(4,11(14)15)13(7-8-16-5)9-10(2)3/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid?
2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114996785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).