3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid

C10H16N2O5 — CID 103255508

IUPAC3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid
SMILESCOCC(NC1CCC(=O)N(C)C1=O)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-12-8(13)4-3-6(9(12)14)11-7(5-17-2)10(15)16/h6-7,11H,3-5H2,1-2H3,(H,15,16)
InChIKeyMPLXMKRMYBPGHW-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.18
Rot. Bonds5

About 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid

3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid (PubChem CID 103255508) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid
PubChem CID103255508
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid
SMILESCOCC(NC1CCC(=O)N(C)C1=O)C(=O)O
InChIInChI=1S/C10H16N2O5/c1-12-8(13)4-3-6(9(12)14)11-7(5-17-2)10(15)16/h6-7,11H,3-5H2,1-2H3,(H,15,16)
InChIKeyMPLXMKRMYBPGHW-UHFFFAOYSA-N
XLogP-1.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
2-(cyclopropylamino)-3-methoxypropanoic acid;hydrochloride
CID 75493650
2-methyl-4-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80540995
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
CID 103255545
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
3-[1-(4-hydroxyphenyl)propan-2-ylamino]-1-methylpiperidine-2,6-dione
CID 115494415
N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
CID 107529602
2-[(2,2-dimethylcyclopropyl)amino]-3-methoxypropanoic acid
CID 103244093
2-[(1,1-dioxothian-4-yl)amino]-3-methoxypropanoic acid
CID 103239254
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid (CID 103255508) is 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid is COCC(NC1CCC(=O)N(C)C1=O)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid?
The InChIKey is MPLXMKRMYBPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-12-8(13)4-3-6(9(12)14)11-7(5-17-2)10(15)16/h6-7,11H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid?
3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid has a molecular weight of 244.25 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 103255508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).