methyl 3-(oxolan-2-ylmethylamino)propanoate

C9H17NO3 — CID 43242689

IUPACmethyl 3-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)CCNCC1CCCO1
InChIInChI=1S/C9H17NO3/c1-12-9(11)4-5-10-7-8-3-2-6-13-8/h8,10H,2-7H2,1H3
InChIKeyAKQVSTFBBJAHGJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds5

About methyl 3-(oxolan-2-ylmethylamino)propanoate

methyl 3-(oxolan-2-ylmethylamino)propanoate (PubChem CID 43242689) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-(oxolan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(oxolan-2-ylmethylamino)propanoate
PubChem CID43242689
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)CCNCC1CCCO1
InChIInChI=1S/C9H17NO3/c1-12-9(11)4-5-10-7-8-3-2-6-13-8/h8,10H,2-7H2,1H3
InChIKeyAKQVSTFBBJAHGJ-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (R)-3-(((tetrahydrofuran-2-yl)methyl)amino)propanoate
CID 92251433
Methyl 3-oxo-3-(oxolan-2-ylmethylamino)propanoate
CID 112464691
Methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate
CID 80601927
Methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate
CID 81338559
5-[(3-Ethoxypropylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492320
3,3-Difluoro-5-[(3-propoxypropylamino)methyl]oxolan-2-one
CID 113841019
5-[(3-Butoxypropylamino)methyl]-3,3-difluorooxolan-2-one
CID 113841030
2,2-Difluoro-3-{[(oxolan-2-yl)methyl]amino}propanoic acid
CID 165466862
Methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
CID 51086819
N-tetrahydrofurfurylglycine tert-butyl ester
CID 13505723
Ethyl 2-[(oxolan-2-ylmethyl)amino]acetate
CID 21331480
N-(2-methoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)amine
CID 25218868

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxolan-2-ylmethylamino)propanoate?
The IUPAC name of methyl 3-(oxolan-2-ylmethylamino)propanoate (CID 43242689) is methyl 3-(oxolan-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 3-(oxolan-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 3-(oxolan-2-ylmethylamino)propanoate is COC(=O)CCNCC1CCCO1.
What is the InChIKey of methyl 3-(oxolan-2-ylmethylamino)propanoate?
The InChIKey is AKQVSTFBBJAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-9(11)4-5-10-7-8-3-2-6-13-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 3-(oxolan-2-ylmethylamino)propanoate?
methyl 3-(oxolan-2-ylmethylamino)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxolan-2-ylmethylamino)propanoate is sourced from PubChem (CID 43242689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).