3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid

C10H16N2O5 — CID 103255545

IUPAC3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
SMILESCN1C(=O)CCC(NCC(O)CC(=O)O)C1=O
InChIInChI=1S/C10H16N2O5/c1-12-8(14)3-2-7(10(12)17)11-5-6(13)4-9(15)16/h6-7,11,13H,2-5H2,1H3,(H,15,16)
InChIKeyJTFJVCKZMZSKLD-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.44
Rot. Bonds5

About 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid

3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid (PubChem CID 103255545) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
PubChem CID103255545
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
SMILESCN1C(=O)CCC(NCC(O)CC(=O)O)C1=O
InChIInChI=1S/C10H16N2O5/c1-12-8(14)3-2-7(10(12)17)11-5-6(13)4-9(15)16/h6-7,11,13H,2-5H2,1H3,(H,15,16)
InChIKeyJTFJVCKZMZSKLD-UHFFFAOYSA-N
XLogP-1.44
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
CID 103255113
N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
CID 107529602
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800
3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 79355575
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103255513
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 114493300
3-methoxy-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoic acid
CID 103255508
5-[[(1-methyl-2,6-dioxopiperidin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 113432528
1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione
CID 106638714
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79321740

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid (CID 103255545) is 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid is CN1C(=O)CCC(NCC(O)CC(=O)O)C1=O.
What is the InChIKey of 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid?
The InChIKey is JTFJVCKZMZSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-12-8(14)3-2-7(10(12)17)11-5-6(13)4-9(15)16/h6-7,11,13H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid?
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid has a molecular weight of 244.25 g/mol, XLogP of -1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid is sourced from PubChem (CID 103255545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).