methyl 2-hydroxy-2-[methyl(propyl)amino]acetate

C7H15NO3 — CID 139781507

IUPACmethyl 2-hydroxy-2-[methyl(propyl)amino]acetate
SMILESCCCN(C)C(O)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-5-8(2)6(9)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyHEVGXQJKHKDIGW-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds4

About methyl 2-hydroxy-2-[methyl(propyl)amino]acetate

methyl 2-hydroxy-2-[methyl(propyl)amino]acetate (PubChem CID 139781507) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[methyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[methyl(propyl)amino]acetate
PubChem CID139781507
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 2-hydroxy-2-[methyl(propyl)amino]acetate
SMILESCCCN(C)C(O)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-5-8(2)6(9)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyHEVGXQJKHKDIGW-UHFFFAOYSA-N
XLogP-0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Hydroxy-methyl methylglycine
CID 15678438
Hydroxybetaine
CID 10197714
2-(Azetidin-1-yl)-2-hydroxyacetic acid
CID 22763587
[Carboxy(hydroxy)methyl]-trimethylazanium
CID 10197715
2-[Carboxymethyl(ethyl)amino]-2-hydroxyacetic acid
CID 53840658
2-[Carboxymethyl(propyl)amino]-2-hydroxyacetic acid
CID 54323010
2-[Carboxymethyl(ethyl)amino]-2-methoxyacetic acid
CID 54420994
2-[Carboxymethyl(methyl)amino]-2-hydroxyacetic acid
CID 54423532
Ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57170246
2-[2-(Carboxymethoxy)ethyl-methylamino]acetate
CID 57984052
2-[2-(Carboxymethoxy)ethyl-methylamino]acetic acid
CID 57984053
2-[(2-Hydroxy-3-methoxypropyl)-methylamino]acetic acid
CID 61582256

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[methyl(propyl)amino]acetate?
The IUPAC name of methyl 2-hydroxy-2-[methyl(propyl)amino]acetate (CID 139781507) is methyl 2-hydroxy-2-[methyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[methyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[methyl(propyl)amino]acetate is CCCN(C)C(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-[methyl(propyl)amino]acetate?
The InChIKey is HEVGXQJKHKDIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-5-8(2)6(9)7(10)11-3/h6,9H,4-5H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-[methyl(propyl)amino]acetate?
methyl 2-hydroxy-2-[methyl(propyl)amino]acetate has a molecular weight of 161.20 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[methyl(propyl)amino]acetate is sourced from PubChem (CID 139781507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).