methyl 2-(methoxycarbonylamino)acetate

C5H9NO4 — CID 14133519

IUPACmethyl 2-(methoxycarbonylamino)acetate
SMILESCOC(=O)CNC(=O)OC
InChIInChI=1S/C5H9NO4/c1-9-4(7)3-6-5(8)10-2/h3H2,1-2H3,(H,6,8)
InChIKeySYMYZVXEVWVLQT-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.48
Rot. Bonds2

About methyl 2-(methoxycarbonylamino)acetate

methyl 2-(methoxycarbonylamino)acetate (PubChem CID 14133519) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is methyl 2-(methoxycarbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(methoxycarbonylamino)acetate
PubChem CID14133519
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Namemethyl 2-(methoxycarbonylamino)acetate
SMILESCOC(=O)CNC(=O)OC
InChIInChI=1S/C5H9NO4/c1-9-4(7)3-6-5(8)10-2/h3H2,1-2H3,(H,6,8)
InChIKeySYMYZVXEVWVLQT-UHFFFAOYSA-N
XLogP-0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
methyl N-(2-iodo-2-oxoethyl)carbamate
CID 90151465
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
methanamine;methyl N-(2-amino-2-oxoethyl)carbamate;propane
CID 144526153
methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate
CID 59153792
methyl N-(methoxymethyl)carbamate
CID 12599260

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxycarbonylamino)acetate?
The IUPAC name of methyl 2-(methoxycarbonylamino)acetate (CID 14133519) is methyl 2-(methoxycarbonylamino)acetate.
What is the SMILES notation for methyl 2-(methoxycarbonylamino)acetate?
The canonical SMILES for methyl 2-(methoxycarbonylamino)acetate is COC(=O)CNC(=O)OC.
What is the InChIKey of methyl 2-(methoxycarbonylamino)acetate?
The InChIKey is SYMYZVXEVWVLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-9-4(7)3-6-5(8)10-2/h3H2,1-2H3,(H,6,8).
What are the key properties of methyl 2-(methoxycarbonylamino)acetate?
methyl 2-(methoxycarbonylamino)acetate has a molecular weight of 147.13 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxycarbonylamino)acetate is sourced from PubChem (CID 14133519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).