pentyl 2-[methoxycarbonyl(methyl)amino]acetate

C10H19NO4 — CID 91703028

IUPACpentyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-5-6-7-15-9(12)8-11(2)10(13)14-3/h4-8H2,1-3H3
InChIKeyXGTLVJMKTPZTAM-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds6

About pentyl 2-[methoxycarbonyl(methyl)amino]acetate

pentyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 91703028) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is pentyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID91703028
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namepentyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-5-6-7-15-9(12)8-11(2)10(13)14-3/h4-8H2,1-3H3
InChIKeyXGTLVJMKTPZTAM-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of pentyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 91703028) is pentyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for pentyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for pentyl 2-[methoxycarbonyl(methyl)amino]acetate is CCCCCOC(=O)CN(C)C(=O)OC.
What is the InChIKey of pentyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is XGTLVJMKTPZTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-5-6-7-15-9(12)8-11(2)10(13)14-3/h4-8H2,1-3H3.
What are the key properties of pentyl 2-[methoxycarbonyl(methyl)amino]acetate?
pentyl 2-[methoxycarbonyl(methyl)amino]acetate has a molecular weight of 217.26 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91703028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).