butyl 2-[ethoxycarbonyl(methyl)amino]acetate

C10H19NO4 — CID 91709588

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

About butyl 2-[ethoxycarbonyl(methyl)amino]acetate

butyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709588) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is butyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709588
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namebutyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-4-6-7-15-9(12)8-11(3)10(13)14-5-2/h4-8H2,1-3H3
InChIKeyXINPHGFQZAKDQN-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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Related Compounds

Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930
Ethyl 2-{bis[(tert-butoxy)carbonyl]amino}-2-fluoroacetate
CID 13594882
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
Methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 11054434
Butoxycarbonylmethylurethane
CID 18961430
Glycine, N-methyl-N-methoxycarbonyl-, ethyl ester
CID 61233743
DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, but-2-yn-1-yl ester
CID 91692363
Sarcosylsarcosine, N-isobutoxycarbonyl-, butyl ester
CID 91693557
Glycine, N-methyl-N-methoxycarbonyl-, butyl ester
CID 91703027
Glycine, N-methyl-N-methoxycarbonyl-, pentyl ester
CID 91703028
Glycine, N-methyl-N-methoxycarbonyl-, isohexyl ester
CID 91703029

Frequently Asked Questions

What is the IUPAC name of butyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of butyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709588) is butyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for butyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for butyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCCCOC(=O)CN(C)C(=O)OCC.
What is the InChIKey of butyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is XINPHGFQZAKDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-6-7-15-9(12)8-11(3)10(13)14-5-2/h4-8H2,1-3H3.
What are the key properties of butyl 2-[ethoxycarbonyl(methyl)amino]acetate?
butyl 2-[ethoxycarbonyl(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 butyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).