2-[4-methoxybutan-2-yl(methyl)amino]acetic acid

C8H17NO3 — CID 65056386

IUPAC2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
SMILESCOCCC(C)N(C)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-7(4-5-12-3)9(2)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVXEQUEFNGPCCMX-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.43
Rot. Bonds6

About 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid

2-[4-methoxybutan-2-yl(methyl)amino]acetic acid (PubChem CID 65056386) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
PubChem CID65056386
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
SMILESCOCCC(C)N(C)CC(=O)O
InChIInChI=1S/C8H17NO3/c1-7(4-5-12-3)9(2)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVXEQUEFNGPCCMX-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
CID 79268714
2-[methyl(2-methylpentan-3-yl)amino]acetic acid
CID 65056587
3-[tert-butyl(4-methoxybutan-2-yl)amino]propanoic acid
CID 65058573
ethane;4-methoxy-N-methyl-N-propylbutan-2-amine
CID 153329732
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[[(1S)-1-ethylsulfanyl-2-methylpropyl]-methylamino]acetic acid
CID 130387403
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
azane;4-methoxy-2-methylbutanoic acid
CID 174560200

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid?
The IUPAC name of 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid (CID 65056386) is 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid?
The canonical SMILES for 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid is COCCC(C)N(C)CC(=O)O.
What is the InChIKey of 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid?
The InChIKey is VXEQUEFNGPCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(4-5-12-3)9(2)6-8(10)11/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid?
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid has a molecular weight of 175.23 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxybutan-2-yl(methyl)amino]acetic acid is sourced from PubChem (CID 65056386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).