(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid

C10H15N3O6 — CID 114005723

IUPAC(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C1CCC(NC(=O)N[C@H](CCO)C(=O)O)C(=O)N1
InChIInChI=1S/C10H15N3O6/c14-4-3-6(9(17)18)12-10(19)11-5-1-2-7(15)13-8(5)16/h5-6,14H,1-4H2,(H,17,18)(H2,11,12,19)(H,13,15,16)/t5?,6-/m1/s1
InChIKeyJCIJVVCZQRTILE-PRJDIBJQSA-N
MW273.25 g/mol
LogP-2.07
Rot. Bonds5

About (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 114005723) has the molecular formula C10H15N3O6 and a molecular weight of 273.25 g/mol. Its IUPAC name is (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID114005723
Molecular FormulaC10H15N3O6
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C1CCC(NC(=O)N[C@H](CCO)C(=O)O)C(=O)N1
InChIInChI=1S/C10H15N3O6/c14-4-3-6(9(17)18)12-10(19)11-5-1-2-7(15)13-8(5)16/h5-6,14H,1-4H2,(H,17,18)(H2,11,12,19)(H,13,15,16)/t5?,6-/m1/s1
InChIKeyJCIJVVCZQRTILE-PRJDIBJQSA-N
XLogP-2.07
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 5-2.07
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

(2S,3R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966371
(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
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
(2S)-4-hydroxy-2-(oxolan-3-ylcarbamoylamino)butanoic acid
CID 107823850
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209
(2R)-4-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107827485
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-2-(cyclopent-3-en-1-ylcarbamoylamino)-4-hydroxybutanoic acid
CID 107829012
(2S)-2-[(2,2-dimethyloxan-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid (CID 114005723) is (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid is O=C1CCC(NC(=O)N[C@H](CCO)C(=O)O)C(=O)N1.
What is the InChIKey of (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is JCIJVVCZQRTILE-PRJDIBJQSA-N. The full InChI is InChI=1S/C10H15N3O6/c14-4-3-6(9(17)18)12-10(19)11-5-1-2-7(15)13-8(5)16/h5-6,14H,1-4H2,(H,17,18)(H2,11,12,19)(H,13,15,16)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 273.25 g/mol, XLogP of -2.07, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,6-dioxopiperidin-3-yl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).