ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate

C9H12N2O5 — CID 70820577

IUPACethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1coc(=O)[nH]1
InChIInChI=1S/C9H12N2O5/c1-2-15-7(12)3-4-10-8(13)6-5-16-9(14)11-6/h5H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyNWVPIPCCTCPCOK-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.35
Rot. Bonds5

About ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate

ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate (PubChem CID 70820577) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate
PubChem CID70820577
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Nameethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1coc(=O)[nH]1
InChIInChI=1S/C9H12N2O5/c1-2-15-7(12)3-4-10-8(13)6-5-16-9(14)11-6/h5H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyNWVPIPCCTCPCOK-UHFFFAOYSA-N
XLogP-0.35
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate (CID 70820577) is ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1coc(=O)[nH]1.
What is the InChIKey of ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is NWVPIPCCTCPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-2-15-7(12)3-4-10-8(13)6-5-16-9(14)11-6/h5H,2-4H2,1H3,(H,10,13)(H,11,14).
What are the key properties of ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate?
ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 228.20 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-oxo-3H-1,3-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 70820577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).