[methyl(propanoyloxy)amino] propanoate

C7H13NO4 — CID 90871016

IUPAC[methyl(propanoyloxy)amino] propanoate
SMILESCCC(=O)ON(C)OC(=O)CC
InChIInChI=1S/C7H13NO4/c1-4-6(9)11-8(3)12-7(10)5-2/h4-5H2,1-3H3
InChIKeySDUUEUIYVNUDCV-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.65
Rot. Bonds4

About [methyl(propanoyloxy)amino] propanoate

[methyl(propanoyloxy)amino] propanoate (PubChem CID 90871016) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is [methyl(propanoyloxy)amino] propanoate.

Molecular Properties

Compound Name[methyl(propanoyloxy)amino] propanoate
PubChem CID90871016
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name[methyl(propanoyloxy)amino] propanoate
SMILESCCC(=O)ON(C)OC(=O)CC
InChIInChI=1S/C7H13NO4/c1-4-6(9)11-8(3)12-7(10)5-2/h4-5H2,1-3H3
InChIKeySDUUEUIYVNUDCV-UHFFFAOYSA-N
XLogP0.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [methyl(propanoyloxy)amino] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propanoyl (113C)propanoate
CID 91179573
[2-chloroethyl(propanoyloxy)amino] propanoate
CID 135313522
(dibutylamino) propanoate
CID 154448533
[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
CID 146230533
(N-methylanilino) propanoate
CID 143653694
[carboxyoxy(methyl)amino] hydrogen carbonate
CID 23295715
3-propanoyloxybutan-2-yl propanoate
CID 14494224
[dodecyl(propanoyloxy)amino] propanoate
CID 87471724
[octyl(propanoyloxy)amino] propanoate
CID 87337944
CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
propanoyloxy-λ2-stannane
CID 173456890

Frequently Asked Questions

What is the IUPAC name of [methyl(propanoyloxy)amino] propanoate?
The IUPAC name of [methyl(propanoyloxy)amino] propanoate (CID 90871016) is [methyl(propanoyloxy)amino] propanoate.
What is the SMILES notation for [methyl(propanoyloxy)amino] propanoate?
The canonical SMILES for [methyl(propanoyloxy)amino] propanoate is CCC(=O)ON(C)OC(=O)CC.
What is the InChIKey of [methyl(propanoyloxy)amino] propanoate?
The InChIKey is SDUUEUIYVNUDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4-6(9)11-8(3)12-7(10)5-2/h4-5H2,1-3H3.
What are the key properties of [methyl(propanoyloxy)amino] propanoate?
[methyl(propanoyloxy)amino] propanoate has a molecular weight of 175.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(propanoyloxy)amino] propanoate is sourced from PubChem (CID 90871016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).