3-aminopropanoic acid;methyl propanoate

C7H15NO4 — CID 158639053

IUPAC3-aminopropanoic acid;methyl propanoate
SMILESCCC(=O)OC.NCCC(=O)O
InChIInChI=1S/C4H8O2.C3H7NO2/c1-3-4(5)6-2;4-2-1-3(5)6/h3H2,1-2H3;1-2,4H2,(H,5,6)
InChIKeyIADIVJKQHYVYIO-UHFFFAOYSA-N
MW177.20 g/mol
LogP-0.01
Rot. Bonds3

About 3-aminopropanoic acid;methyl propanoate

3-aminopropanoic acid;methyl propanoate (PubChem CID 158639053) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-aminopropanoic acid;methyl propanoate.

Molecular Properties

Compound Name3-aminopropanoic acid;methyl propanoate
PubChem CID158639053
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name3-aminopropanoic acid;methyl propanoate
SMILESCCC(=O)OC.NCCC(=O)O
InChIInChI=1S/C4H8O2.C3H7NO2/c1-3-4(5)6-2;4-2-1-3(5)6/h3H2,1-2H3;1-2,4H2,(H,5,6)
InChIKeyIADIVJKQHYVYIO-UHFFFAOYSA-N
XLogP-0.01
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-aminopropanoic acid;methyl 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

CID 87773794
CID 87773794
methyl propanoate;dihydrochloride
CID 140968159
3-(15N)azanyl(113C)propanoic acid
CID 11366951
CID 45052167
CID 45052167
lithium;hydride;methyl propanoate
CID 174158387
methyl propanoate;sulfuryl difluoride
CID 146421317
3-aminopropanoic acid;propanoic acid;prop-1-ene
CID 88933122
methyl propanoate;trichlorostannane
CID 174538862
formic acid;methyl propanoate
CID 161212628
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
iodomethane;4-methoxy-4-oxobutanoic acid
CID 87985757
ethane-1,2-diamine;propanoic acid
CID 87882267

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoic acid;methyl propanoate?
The IUPAC name of 3-aminopropanoic acid;methyl propanoate (CID 158639053) is 3-aminopropanoic acid;methyl propanoate.
What is the SMILES notation for 3-aminopropanoic acid;methyl propanoate?
The canonical SMILES for 3-aminopropanoic acid;methyl propanoate is CCC(=O)OC.NCCC(=O)O.
What is the InChIKey of 3-aminopropanoic acid;methyl propanoate?
The InChIKey is IADIVJKQHYVYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H7NO2/c1-3-4(5)6-2;4-2-1-3(5)6/h3H2,1-2H3;1-2,4H2,(H,5,6).
What are the key properties of 3-aminopropanoic acid;methyl propanoate?
3-aminopropanoic acid;methyl propanoate has a molecular weight of 177.20 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoic acid;methyl propanoate is sourced from PubChem (CID 158639053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).