2-methoxyethyl 3-(methoxycarbonylamino)propanoate

C8H15NO5 — CID 71878122

IUPAC2-methoxyethyl 3-(methoxycarbonylamino)propanoate
SMILESCOCCOC(=O)CCNC(=O)OC
InChIInChI=1S/C8H15NO5/c1-12-5-6-14-7(10)3-4-9-8(11)13-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyDPALNOUVPBKKPJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.08
Rot. Bonds6

About 2-methoxyethyl 3-(methoxycarbonylamino)propanoate

2-methoxyethyl 3-(methoxycarbonylamino)propanoate (PubChem CID 71878122) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-methoxyethyl 3-(methoxycarbonylamino)propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-(methoxycarbonylamino)propanoate
PubChem CID71878122
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-methoxyethyl 3-(methoxycarbonylamino)propanoate
SMILESCOCCOC(=O)CCNC(=O)OC
InChIInChI=1S/C8H15NO5/c1-12-5-6-14-7(10)3-4-9-8(11)13-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyDPALNOUVPBKKPJ-UHFFFAOYSA-N
XLogP-0.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonylamino]propanoate
CID 10924821
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
[(1S,2S)-2-methylcyclopropyl]methyl 3-(methoxycarbonylamino)propanoate
CID 95616449
2-methoxyethyl 3-(cyclopropylamino)propanoate
CID 61301679
2-methoxyethyl 3-(phenylcarbamoylamino)propanoate
CID 42242981
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
2-(dimethylamino)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 14542366
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
2-methoxyethyl 5-methoxypentanoate
CID 58454735
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285
octyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 59559115

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-(methoxycarbonylamino)propanoate?
The IUPAC name of 2-methoxyethyl 3-(methoxycarbonylamino)propanoate (CID 71878122) is 2-methoxyethyl 3-(methoxycarbonylamino)propanoate.
What is the SMILES notation for 2-methoxyethyl 3-(methoxycarbonylamino)propanoate?
The canonical SMILES for 2-methoxyethyl 3-(methoxycarbonylamino)propanoate is COCCOC(=O)CCNC(=O)OC.
What is the InChIKey of 2-methoxyethyl 3-(methoxycarbonylamino)propanoate?
The InChIKey is DPALNOUVPBKKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-12-5-6-14-7(10)3-4-9-8(11)13-2/h3-6H2,1-2H3,(H,9,11).
What are the key properties of 2-methoxyethyl 3-(methoxycarbonylamino)propanoate?
2-methoxyethyl 3-(methoxycarbonylamino)propanoate has a molecular weight of 205.21 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-(methoxycarbonylamino)propanoate is sourced from PubChem (CID 71878122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).