methyl 3-(oxolane-2-carbonylamino)propanoate

C9H15NO4 — CID 60636005

IUPACmethyl 3-(oxolane-2-carbonylamino)propanoate
SMILESCOC(=O)CCNC(=O)C1CCCO1
InChIInChI=1S/C9H15NO4/c1-13-8(11)4-5-10-9(12)7-3-2-6-14-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyJOYCKISHGXJNEU-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.16
Rot. Bonds4

About methyl 3-(oxolane-2-carbonylamino)propanoate

methyl 3-(oxolane-2-carbonylamino)propanoate (PubChem CID 60636005) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 3-(oxolane-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(oxolane-2-carbonylamino)propanoate
PubChem CID60636005
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 3-(oxolane-2-carbonylamino)propanoate
SMILESCOC(=O)CCNC(=O)C1CCCO1
InChIInChI=1S/C9H15NO4/c1-13-8(11)4-5-10-9(12)7-3-2-6-14-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyJOYCKISHGXJNEU-UHFFFAOYSA-N
XLogP-0.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(Methylamino)propyl]oxolane-2-carboxamide
CID 10535559
Methyl 3-[(2-methoxyacetyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 72134575
N-(2-methylpropyl)oxolane-2-carboxamide
CID 3307864
3-(Oxolan-2-ylformamido)propanoic acid
CID 16228277
(S)-N-methyl-5-oxotetrahydrofuran-2-carboxamide
CID 10103278
methyl (2S)-3,3-dimethyl-2-(oxolane-2-carbonylamino)butanoate
CID 60336430
tert-butyl 2-[[(2S)-oxolane-2-carbonyl]amino]acetate
CID 96494977
Acetamide, N-tetrahydrofurfuryl-2-acetoxy-
CID 531941
N-(5-Oxo-tetrahydro-furan-2-ylmethyl)-acetamide
CID 533856
N-Propyltetrahydrofuran-2-carboxamide
CID 4054933
Methyl 3-oxo-3-(oxolan-2-ylmethylamino)propanoate
CID 112464691
Methyl 3-oxo-3-(oxolane-2-carbonylamino)propanoate
CID 134858134

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxolane-2-carbonylamino)propanoate?
The IUPAC name of methyl 3-(oxolane-2-carbonylamino)propanoate (CID 60636005) is methyl 3-(oxolane-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-(oxolane-2-carbonylamino)propanoate?
The canonical SMILES for methyl 3-(oxolane-2-carbonylamino)propanoate is COC(=O)CCNC(=O)C1CCCO1.
What is the InChIKey of methyl 3-(oxolane-2-carbonylamino)propanoate?
The InChIKey is JOYCKISHGXJNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-13-8(11)4-5-10-9(12)7-3-2-6-14-7/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of methyl 3-(oxolane-2-carbonylamino)propanoate?
methyl 3-(oxolane-2-carbonylamino)propanoate has a molecular weight of 201.22 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxolane-2-carbonylamino)propanoate is sourced from PubChem (CID 60636005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).