butyl 2-[methoxycarbonyl(methyl)amino]acetate

C9H17NO4 — CID 91703027

IUPACbutyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-4-5-6-14-8(11)7-10(2)9(12)13-3/h4-7H2,1-3H3
InChIKeyJTNWHBZXMUFBTK-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.03
Rot. Bonds5

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

butyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 91703027) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is butyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namebutyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID91703027
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namebutyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C9H17NO4/c1-4-5-6-14-8(11)7-10(2)9(12)13-3/h4-7H2,1-3H3
InChIKeyJTNWHBZXMUFBTK-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.03
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

N,N-Bis(acetoxyethyl)acetamide
CID 21430
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
Methyl 2-[methoxycarbonyl(methyl)amino]acetate
CID 43409148
Glycine, N,N-bis(2-ethoxyethyl)-, ethyl ester
CID 24838487
N-Acetyl-N-(2-butoxy-2-oxoethyl)glycine butyl ester
CID 90476080
Butoxycarbonylmethylurethane
CID 18961430
Butyl N-(trifluoroacetyl)-N-ethylglycinate
CID 592990
Diethyl 2,2'-(ethylimino)diacetate
CID 264814
Glycine, N-methyl-N-methoxycarbonyl-, ethyl ester
CID 61233743
Sarcosine, N-isobutyryl-, butyl ester
CID 91692180
DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, but-2-yn-1-yl ester
CID 91692363

Frequently Asked Questions

What is the IUPAC name of butyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of butyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 91703027) is butyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for butyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for butyl 2-[methoxycarbonyl(methyl)amino]acetate is CCCCOC(=O)CN(C)C(=O)OC.
What is the InChIKey of butyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is JTNWHBZXMUFBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-5-6-14-8(11)7-10(2)9(12)13-3/h4-7H2,1-3H3.
What are the key properties of butyl 2-[methoxycarbonyl(methyl)amino]acetate?
butyl 2-[methoxycarbonyl(methyl)amino]acetate has a molecular weight of 203.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91703027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).