5-amino-2-(dichloroamino)-5-oxopentanoic acid

C5H8Cl2N2O3 — CID 21446182

IUPAC5-amino-2-(dichloroamino)-5-oxopentanoic acid
SMILESNC(=O)CCC(C(=O)O)N(Cl)Cl
InChIInChI=1S/C5H8Cl2N2O3/c6-9(7)3(5(11)12)1-2-4(8)10/h3H,1-2H2,(H2,8,10)(H,11,12)
InChIKeyGLZWXPIFPBJOCG-UHFFFAOYSA-N
MW215.04 g/mol
LogP0.31
Rot. Bonds5

About 5-amino-2-(dichloroamino)-5-oxopentanoic acid

5-amino-2-(dichloroamino)-5-oxopentanoic acid (PubChem CID 21446182) has the molecular formula C5H8Cl2N2O3 and a molecular weight of 215.04 g/mol. Its IUPAC name is 5-amino-2-(dichloroamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(dichloroamino)-5-oxopentanoic acid
PubChem CID21446182
Molecular FormulaC5H8Cl2N2O3
Molecular Weight215.04 g/mol
Exact Mass213.99
IUPAC Name5-amino-2-(dichloroamino)-5-oxopentanoic acid
SMILESNC(=O)CCC(C(=O)O)N(Cl)Cl
InChIInChI=1S/C5H8Cl2N2O3/c6-9(7)3(5(11)12)1-2-4(8)10/h3H,1-2H2,(H2,8,10)(H,11,12)
InChIKeyGLZWXPIFPBJOCG-UHFFFAOYSA-N
XLogP0.31
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(dichloroamino)-4-oxobutanoic acid
CID 87518642
5-amino-2-(3-amino-3-oxopropyl)-5-oxopentanoic acid
CID 100986466
(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
CID 57128286
(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
CID 87879167
5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid
CID 175602366
(2S)-5-amino-2-(dibenzylamino)-5-oxopentanoic acid
CID 67573864
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
CID 134249161

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dichloroamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(dichloroamino)-5-oxopentanoic acid (CID 21446182) is 5-amino-2-(dichloroamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(dichloroamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(dichloroamino)-5-oxopentanoic acid is NC(=O)CCC(C(=O)O)N(Cl)Cl.
What is the InChIKey of 5-amino-2-(dichloroamino)-5-oxopentanoic acid?
The InChIKey is GLZWXPIFPBJOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2N2O3/c6-9(7)3(5(11)12)1-2-4(8)10/h3H,1-2H2,(H2,8,10)(H,11,12).
What are the key properties of 5-amino-2-(dichloroamino)-5-oxopentanoic acid?
5-amino-2-(dichloroamino)-5-oxopentanoic acid has a molecular weight of 215.04 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dichloroamino)-5-oxopentanoic acid is sourced from PubChem (CID 21446182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).