methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate

C10H18N2O4 — CID 62012492

IUPACmethyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate
SMILESCOC(=O)CCCN(C)CC1CNC(=O)O1
InChIInChI=1S/C10H18N2O4/c1-12(5-3-4-9(13)15-2)7-8-6-11-10(14)16-8/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyFHOPKIQYIWKXKX-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.02
Rot. Bonds6

About methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate

methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate (PubChem CID 62012492) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate
PubChem CID62012492
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate
SMILESCOC(=O)CCCN(C)CC1CNC(=O)O1
InChIInChI=1S/C10H18N2O4/c1-12(5-3-4-9(13)15-2)7-8-6-11-10(14)16-8/h8H,3-7H2,1-2H3,(H,11,14)
InChIKeyFHOPKIQYIWKXKX-UHFFFAOYSA-N
XLogP-0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate?
The IUPAC name of methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate (CID 62012492) is methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate?
The canonical SMILES for methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate is COC(=O)CCCN(C)CC1CNC(=O)O1.
What is the InChIKey of methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate?
The InChIKey is FHOPKIQYIWKXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(5-3-4-9(13)15-2)7-8-6-11-10(14)16-8/h8H,3-7H2,1-2H3,(H,11,14).
What are the key properties of methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate?
methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate has a molecular weight of 230.26 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate is sourced from PubChem (CID 62012492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).