1-aminopropyl 2-hydroxypropanoate;morpholine

C10H22N2O4 — CID 70299916

IUPAC1-aminopropyl 2-hydroxypropanoate;morpholine
SMILESC1COCCN1.CCC(N)OC(=O)C(C)O
InChIInChI=1S/C6H13NO3.C4H9NO/c1-3-5(7)10-6(9)4(2)8;1-3-6-4-2-5-1/h4-5,8H,3,7H2,1-2H3;5H,1-4H2
InChIKeyMSRHVTQYFPAMBH-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.79
Rot. Bonds3

About 1-aminopropyl 2-hydroxypropanoate;morpholine

1-aminopropyl 2-hydroxypropanoate;morpholine (PubChem CID 70299916) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-aminopropyl 2-hydroxypropanoate;morpholine.

Molecular Properties

Compound Name1-aminopropyl 2-hydroxypropanoate;morpholine
PubChem CID70299916
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name1-aminopropyl 2-hydroxypropanoate;morpholine
SMILESC1COCCN1.CCC(N)OC(=O)C(C)O
InChIInChI=1S/C6H13NO3.C4H9NO/c1-3-5(7)10-6(9)4(2)8;1-3-6-4-2-5-1/h4-5,8H,3,7H2,1-2H3;5H,1-4H2
InChIKeyMSRHVTQYFPAMBH-UHFFFAOYSA-N
XLogP-0.79
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-aminopropyl 2-hydroxypropanoate;morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-aminopropyl 2-hydroxypropanoate;morpholine?
The IUPAC name of 1-aminopropyl 2-hydroxypropanoate;morpholine (CID 70299916) is 1-aminopropyl 2-hydroxypropanoate;morpholine.
What is the SMILES notation for 1-aminopropyl 2-hydroxypropanoate;morpholine?
The canonical SMILES for 1-aminopropyl 2-hydroxypropanoate;morpholine is C1COCCN1.CCC(N)OC(=O)C(C)O.
What is the InChIKey of 1-aminopropyl 2-hydroxypropanoate;morpholine?
The InChIKey is MSRHVTQYFPAMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.C4H9NO/c1-3-5(7)10-6(9)4(2)8;1-3-6-4-2-5-1/h4-5,8H,3,7H2,1-2H3;5H,1-4H2.
What are the key properties of 1-aminopropyl 2-hydroxypropanoate;morpholine?
1-aminopropyl 2-hydroxypropanoate;morpholine has a molecular weight of 234.30 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropyl 2-hydroxypropanoate;morpholine is sourced from PubChem (CID 70299916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).