2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid

C10H21NO3 — CID 114995148

IUPAC2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N(C)C(C)COC
InChIInChI=1S/C10H21NO3/c1-6-10(3,9(12)13)11(4)8(2)7-14-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyWDLMLPDAGZXYIX-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.21
Rot. Bonds6

About 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid

2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid (PubChem CID 114995148) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
PubChem CID114995148
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N(C)C(C)COC
InChIInChI=1S/C10H21NO3/c1-6-10(3,9(12)13)11(4)8(2)7-14-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyWDLMLPDAGZXYIX-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid
CID 114996785
2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
CID 79426238
2,2-diethyl-4-[1-methoxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 60948695
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093
4-[1-methoxypropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60949595
2-[ethyl(propan-2-yl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999201
2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114989107
CID 175912914
CID 175912914
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114990867
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009512

Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid (CID 114995148) is 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid is CCC(C)(C(=O)O)N(C)C(C)COC.
What is the InChIKey of 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid?
The InChIKey is WDLMLPDAGZXYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6-10(3,9(12)13)11(4)8(2)7-14-5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid?
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 114995148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).