3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid

C10H21NO3 — CID 62271402

IUPAC3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
SMILESCOCC(C)N(C)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-8(6-14-5)11(4)7-10(2,3)9(12)13/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyDVJHHGJHZCIGTF-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.06
Rot. Bonds6

About 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid

3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 62271402) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
PubChem CID62271402
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
SMILESCOCC(C)N(C)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-8(6-14-5)11(4)7-10(2,3)9(12)13/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyDVJHHGJHZCIGTF-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
CID 62270301
3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624612
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
CID 114995148
2,2-diethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62257958
2-ethyl-2-[[1-methoxypropan-2-yl(methyl)amino]methyl]butan-1-ol
CID 62270584
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-amino-2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 63909963
2-[1-methoxypropan-2-yl(methyl)amino]acetohydrazide
CID 63585055
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624001
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009512
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650

Frequently Asked Questions

What is the IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid (CID 62271402) is 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid is COCC(C)N(C)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is DVJHHGJHZCIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(6-14-5)11(4)7-10(2,3)9(12)13/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid?
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 62271402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).