2-acetamidoethyl propanoate

C7H13NO3 — CID 54208768

IUPAC2-acetamidoethyl propanoate
SMILESCCC(=O)OCCNC(C)=O
InChIInChI=1S/C7H13NO3/c1-3-7(10)11-5-4-8-6(2)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyIDJOJQKDFLHLDQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.08
Rot. Bonds4

About 2-acetamidoethyl propanoate

2-acetamidoethyl propanoate (PubChem CID 54208768) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-acetamidoethyl propanoate.

Molecular Properties

Compound Name2-acetamidoethyl propanoate
PubChem CID54208768
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-acetamidoethyl propanoate
SMILESCCC(=O)OCCNC(C)=O
InChIInChI=1S/C7H13NO3/c1-3-7(10)11-5-4-8-6(2)9/h3-5H2,1-2H3,(H,8,9)
InChIKeyIDJOJQKDFLHLDQ-UHFFFAOYSA-N
XLogP0.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidoethyl 2-fluoroacetate
CID 45254008
2-acetamidoethyl hydrogen carbonate
CID 150133482
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
2-acetamidoethyl iodomethyl carbonate
CID 11748163
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-acetamidoethyl 2-phenylacetate
CID 139889118
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
O-(2-acetamidoethyl) 3-oxohexanethioate
CID 135389850
2-acetamidoethyl 1-chloroethyl carbonate
CID 23019510

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl propanoate?
The IUPAC name of 2-acetamidoethyl propanoate (CID 54208768) is 2-acetamidoethyl propanoate.
What is the SMILES notation for 2-acetamidoethyl propanoate?
The canonical SMILES for 2-acetamidoethyl propanoate is CCC(=O)OCCNC(C)=O.
What is the InChIKey of 2-acetamidoethyl propanoate?
The InChIKey is IDJOJQKDFLHLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-7(10)11-5-4-8-6(2)9/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-acetamidoethyl propanoate?
2-acetamidoethyl propanoate has a molecular weight of 159.19 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl propanoate is sourced from PubChem (CID 54208768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).