(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid

C10H15N3O6 — CID 104966371

IUPAC(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NC1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C10H15N3O6/c1-4(14)7(9(17)18)13-10(19)11-5-2-3-6(15)12-8(5)16/h4-5,7,14H,2-3H2,1H3,(H,17,18)(H2,11,13,19)(H,12,15,16)/t4-,5?,7+/m1/s1
InChIKeyRTEMDTKZPGGDDT-XWGOABOUSA-N
MW273.25 g/mol
LogP-2.08
Rot. Bonds4

About (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 104966371) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID104966371
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)NC1CCC(=O)NC1=O)C(=O)O
InChIInChI=1S/C10H15N3O6/c1-4(14)7(9(17)18)13-10(19)11-5-2-3-6(15)12-8(5)16/h4-5,7,14H,2-3H2,1H3,(H,17,18)(H2,11,13,19)(H,12,15,16)/t4-,5?,7+/m1/s1
InChIKeyRTEMDTKZPGGDDT-XWGOABOUSA-N
XLogP-2.08
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005723
(2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007600
4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069680
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
(2S,3R)-3-hydroxy-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 104966339
(2S,3R)-3-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 104966185
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115431256
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]butanoic acid
CID 103968063
(2S,3R)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104966378
N-(2,6-dioxopiperidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110463382

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid (CID 104966371) is (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)NC1CCC(=O)NC1=O)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is RTEMDTKZPGGDDT-XWGOABOUSA-N. The full InChI is InChI=1S/C10H15N3O6/c1-4(14)7(9(17)18)13-10(19)11-5-2-3-6(15)12-8(5)16/h4-5,7,14H,2-3H2,1H3,(H,17,18)(H2,11,13,19)(H,12,15,16)/t4-,5?,7+/m1/s1.
What are the key properties of (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 273.25 g/mol, XLogP of -2.08, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104966371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).