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

C9H13N3O6 — CID 114007600

IUPAC(2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
SMILESO=C1CCC(NC(=O)NC[C@H](O)C(=O)O)C(=O)N1
InChIInChI=1S/C9H13N3O6/c13-5(8(16)17)3-10-9(18)11-4-1-2-6(14)12-7(4)15/h4-5,13H,1-3H2,(H,16,17)(H2,10,11,18)(H,12,14,15)/t4?,5-/m0/s1
InChIKeyWGVNOKKLHDXMQH-AKGZTFGVSA-N
MW259.22 g/mol
LogP-2.46
Rot. Bonds4

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

(2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 114007600) has the molecular formula C9H13N3O6 and a molecular weight of 259.22 g/mol. Its IUPAC name is (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
PubChem CID114007600
Molecular FormulaC9H13N3O6
Molecular Weight259.22 g/mol
Exact Mass259.08
IUPAC Name(2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid
SMILESO=C1CCC(NC(=O)NC[C@H](O)C(=O)O)C(=O)N1
InChIInChI=1S/C9H13N3O6/c13-5(8(16)17)3-10-9(18)11-4-1-2-6(14)12-7(4)15/h4-5,13H,1-3H2,(H,16,17)(H2,10,11,18)(H,12,14,15)/t4?,5-/m0/s1
InChIKeyWGVNOKKLHDXMQH-AKGZTFGVSA-N
XLogP-2.46
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 5-2.46
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

4-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069680
2-hydroxy-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192133
(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966371
(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005723
2-[[(2,6-dioxopiperidin-3-yl)carbamoylamino]methyl]-2-ethylbutanoic acid
CID 115431256
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
3-(cycloheptylcarbamoylamino)-2-hydroxypropanoic acid
CID 66167145
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
(2S)-2-hydroxy-3-[(3-methylcyclobutyl)carbamoylamino]propanoic acid
CID 107841042
(2S)-2-hydroxy-3-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
CID 107839920
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid (CID 114007600) is (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid is O=C1CCC(NC(=O)NC[C@H](O)C(=O)O)C(=O)N1.
What is the InChIKey of (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is WGVNOKKLHDXMQH-AKGZTFGVSA-N. The full InChI is InChI=1S/C9H13N3O6/c13-5(8(16)17)3-10-9(18)11-4-1-2-6(14)12-7(4)15/h4-5,13H,1-3H2,(H,16,17)(H2,10,11,18)(H,12,14,15)/t4?,5-/m0/s1.
What are the key properties of (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid?
(2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 259.22 g/mol, XLogP of -2.46, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 114007600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).