methyl 2-(dipropylamino)-2-hydroxyacetate

C9H19NO3 — CID 139781510

IUPACmethyl 2-(dipropylamino)-2-hydroxyacetate
SMILESCCCN(CCC)C(O)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-6-10(7-5-2)8(11)9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyOKTNYCYPWRPFBH-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.60
Rot. Bonds6

About methyl 2-(dipropylamino)-2-hydroxyacetate

methyl 2-(dipropylamino)-2-hydroxyacetate (PubChem CID 139781510) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is methyl 2-(dipropylamino)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(dipropylamino)-2-hydroxyacetate
PubChem CID139781510
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Namemethyl 2-(dipropylamino)-2-hydroxyacetate
SMILESCCCN(CCC)C(O)C(=O)OC
InChIInChI=1S/C9H19NO3/c1-4-6-10(7-5-2)8(11)9(12)13-3/h8,11H,4-7H2,1-3H3
InChIKeyOKTNYCYPWRPFBH-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.60
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

2-[Butyl(2-hydroxyethyl)amino]ethanol;2-hydroxyacetic acid
CID 11593881
2-[2-(Diethylamino)ethoxy]acetic acid
CID 13211398
2-[(2-Hydroxy-3-methoxypropyl)-dimethylazaniumyl]acetate
CID 18335807
Carboxymethyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
CID 18335808
Methyl 2-[hydroxymethyl-[2-(2-methoxy-2-oxoethoxy)ethyl]amino]acetate
CID 21363023
2-Hydroxyethyl 2-[[2-(2-hydroxyethoxy)-2-oxoethyl]-methylamino]acetate
CID 22892485
2-[2-Methoxyethyl(propyl)amino]acetic acid
CID 23514919
2-[Carboxymethyl(propyl)amino]-2-hydroxyacetic acid
CID 54323010
2-[2-[2-(Carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid
CID 57085635
Ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57170246
Tert-butyl 2-(azetidin-1-yl)-2-hydroxyacetate
CID 57183442
Tert-butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57454288

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dipropylamino)-2-hydroxyacetate?
The IUPAC name of methyl 2-(dipropylamino)-2-hydroxyacetate (CID 139781510) is methyl 2-(dipropylamino)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(dipropylamino)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(dipropylamino)-2-hydroxyacetate is CCCN(CCC)C(O)C(=O)OC.
What is the InChIKey of methyl 2-(dipropylamino)-2-hydroxyacetate?
The InChIKey is OKTNYCYPWRPFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-6-10(7-5-2)8(11)9(12)13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of methyl 2-(dipropylamino)-2-hydroxyacetate?
methyl 2-(dipropylamino)-2-hydroxyacetate has a molecular weight of 189.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dipropylamino)-2-hydroxyacetate is sourced from PubChem (CID 139781510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).