2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid

C9H14N2O5 — CID 79469214

IUPAC2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
SMILESCC(=O)NC(CN1CCOCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O5/c1-6(12)10-7(9(14)15)4-11-2-3-16-5-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyCRBBKDFLBGEXNQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.57
Rot. Bonds4

About 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid

2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid (PubChem CID 79469214) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
PubChem CID79469214
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
SMILESCC(=O)NC(CN1CCOCC1=O)C(=O)O
InChIInChI=1S/C9H14N2O5/c1-6(12)10-7(9(14)15)4-11-2-3-16-5-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyCRBBKDFLBGEXNQ-UHFFFAOYSA-N
XLogP-1.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 166447125
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CID 103262529
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CID 103807369
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CID 107432948
CID 107432948

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid (CID 79469214) is 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid is CC(=O)NC(CN1CCOCC1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid?
The InChIKey is CRBBKDFLBGEXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-6(12)10-7(9(14)15)4-11-2-3-16-5-8(11)13/h7H,2-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid?
2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid has a molecular weight of 230.22 g/mol, XLogP of -1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid is sourced from PubChem (CID 79469214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).