2-methoxyethyl 2-(3-formamidopropanoylamino)acetate

C9H16N2O5 — CID 57278213

IUPAC2-methoxyethyl 2-(3-formamidopropanoylamino)acetate
SMILESCOCCOC(=O)CNC(=O)CCNC=O
InChIInChI=1S/C9H16N2O5/c1-15-4-5-16-9(14)6-11-8(13)2-3-10-7-12/h7H,2-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyBEDCKBLPUIZNKV-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.57
Rot. Bonds9

About 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate

2-methoxyethyl 2-(3-formamidopropanoylamino)acetate (PubChem CID 57278213) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(3-formamidopropanoylamino)acetate
PubChem CID57278213
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-methoxyethyl 2-(3-formamidopropanoylamino)acetate
SMILESCOCCOC(=O)CNC(=O)CCNC=O
InChIInChI=1S/C9H16N2O5/c1-15-4-5-16-9(14)6-11-8(13)2-3-10-7-12/h7H,2-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyBEDCKBLPUIZNKV-UHFFFAOYSA-N
XLogP-1.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formamidopropanoylamino)acetic acid
CID 118070354
methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
CID 79282629
methyl 3-formamidopropanoate;methyl propanoate
CID 145171236
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
CID 104563269
2-methoxyethyl N,N-bis(2-formamidoethyl)carbamate
CID 89335039
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate?
The IUPAC name of 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate (CID 57278213) is 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate?
The canonical SMILES for 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate is COCCOC(=O)CNC(=O)CCNC=O.
What is the InChIKey of 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate?
The InChIKey is BEDCKBLPUIZNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-15-4-5-16-9(14)6-11-8(13)2-3-10-7-12/h7H,2-6H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate?
2-methoxyethyl 2-(3-formamidopropanoylamino)acetate has a molecular weight of 232.24 g/mol, XLogP of -1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(3-formamidopropanoylamino)acetate is sourced from PubChem (CID 57278213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).