[2-(2-hydroxypropylamino)-2-oxoethyl] acetate

C7H13NO4 — CID 53418750

IUPAC[2-(2-hydroxypropylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NCC(C)O
InChIInChI=1S/C7H13NO4/c1-5(9)3-8-7(11)4-12-6(2)10/h5,9H,3-4H2,1-2H3,(H,8,11)
InChIKeyPWHNEDFJTTUVTH-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.95
Rot. Bonds4

About [2-(2-hydroxypropylamino)-2-oxoethyl] acetate

[2-(2-hydroxypropylamino)-2-oxoethyl] acetate (PubChem CID 53418750) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is [2-(2-hydroxypropylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-hydroxypropylamino)-2-oxoethyl] acetate
PubChem CID53418750
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name[2-(2-hydroxypropylamino)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)NCC(C)O
InChIInChI=1S/C7H13NO4/c1-5(9)3-8-7(11)4-12-6(2)10/h5,9H,3-4H2,1-2H3,(H,8,11)
InChIKeyPWHNEDFJTTUVTH-UHFFFAOYSA-N
XLogP-0.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
N-[(2R)-2-hydroxypropyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107220953
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
[2-(iodoamino)-2-oxoethyl] acetate
CID 153083869
N'-hydroxy-N-(2-hydroxypropyl)butanediamide
CID 86244799
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropylamino)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-hydroxypropylamino)-2-oxoethyl] acetate (CID 53418750) is [2-(2-hydroxypropylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-hydroxypropylamino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-hydroxypropylamino)-2-oxoethyl] acetate is CC(=O)OCC(=O)NCC(C)O.
What is the InChIKey of [2-(2-hydroxypropylamino)-2-oxoethyl] acetate?
The InChIKey is PWHNEDFJTTUVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(9)3-8-7(11)4-12-6(2)10/h5,9H,3-4H2,1-2H3,(H,8,11).
What are the key properties of [2-(2-hydroxypropylamino)-2-oxoethyl] acetate?
[2-(2-hydroxypropylamino)-2-oxoethyl] acetate has a molecular weight of 175.18 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 53418750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).