2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid

C11H23NO3 — CID 112590569

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCOC(C)(C)C)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)12(8-10(13)14)6-7-15-11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyCUWJHOKZWVDNPN-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds6

About 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid

2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid (PubChem CID 112590569) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
PubChem CID112590569
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCOC(C)(C)C)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-9(2)12(8-10(13)14)6-7-15-11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyCUWJHOKZWVDNPN-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 112591752
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
CID 107425641
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838634
2-[2-formamidoethyl(propan-2-yl)amino]acetic acid
CID 118297525
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
2-[2-[2-(4-tert-butylphenyl)sulfanylphenoxy]ethyl-propan-2-ylamino]acetic acid
CID 11281066
2-[2-(3-chlorophenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838792

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid (CID 112590569) is 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid is CC(C)N(CCOC(C)(C)C)CC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid?
The InChIKey is CUWJHOKZWVDNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(2)12(8-10(13)14)6-7-15-11(3,4)5/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 112590569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).