methyl 3-[3-(propan-2-ylamino)propoxy]propanoate

C10H21NO3 — CID 106939689

IUPACmethyl 3-[3-(propan-2-ylamino)propoxy]propanoate
SMILESCOC(=O)CCOCCCNC(C)C
InChIInChI=1S/C10H21NO3/c1-9(2)11-6-4-7-14-8-5-10(12)13-3/h9,11H,4-8H2,1-3H3
InChIKeyHQHBZERVWMECDN-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds8

About methyl 3-[3-(propan-2-ylamino)propoxy]propanoate

methyl 3-[3-(propan-2-ylamino)propoxy]propanoate (PubChem CID 106939689) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 3-[3-(propan-2-ylamino)propoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(propan-2-ylamino)propoxy]propanoate
PubChem CID106939689
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 3-[3-(propan-2-ylamino)propoxy]propanoate
SMILESCOC(=O)CCOCCCNC(C)C
InChIInChI=1S/C10H21NO3/c1-9(2)11-6-4-7-14-8-5-10(12)13-3/h9,11H,4-8H2,1-3H3
InChIKeyHQHBZERVWMECDN-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-[3-(propan-2-ylamino)propoxy]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

N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
CID 114470721
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
2-methyl-1-[3-(propan-2-ylamino)propoxy]propan-2-ol
CID 106939709
methyl 3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propanoate
CID 139594409
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 115486739

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(propan-2-ylamino)propoxy]propanoate?
The IUPAC name of methyl 3-[3-(propan-2-ylamino)propoxy]propanoate (CID 106939689) is methyl 3-[3-(propan-2-ylamino)propoxy]propanoate.
What is the SMILES notation for methyl 3-[3-(propan-2-ylamino)propoxy]propanoate?
The canonical SMILES for methyl 3-[3-(propan-2-ylamino)propoxy]propanoate is COC(=O)CCOCCCNC(C)C.
What is the InChIKey of methyl 3-[3-(propan-2-ylamino)propoxy]propanoate?
The InChIKey is HQHBZERVWMECDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2)11-6-4-7-14-8-5-10(12)13-3/h9,11H,4-8H2,1-3H3.
What are the key properties of methyl 3-[3-(propan-2-ylamino)propoxy]propanoate?
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(propan-2-ylamino)propoxy]propanoate is sourced from PubChem (CID 106939689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).