(2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid

C6H9N3O6 — CID 14632982

IUPAC(2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid
SMILESN[C@@H](CNC(=O)NC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)/t2-/m0/s1
InChIKeyWLHZKQYVDKRZKW-REOHCLBHSA-N
MW219.15 g/mol
LogP-2.69
Rot. Bonds3

About (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid

(2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid (PubChem CID 14632982) has the molecular formula C6H9N3O6 and a molecular weight of 219.15 g/mol. Its IUPAC name is (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid
PubChem CID14632982
Molecular FormulaC6H9N3O6
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name(2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid
SMILESN[C@@H](CNC(=O)NC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)/t2-/m0/s1
InChIKeyWLHZKQYVDKRZKW-REOHCLBHSA-N
XLogP-2.69
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Oxalyldiaminopropionic acid
CID 2360
Dencichine
CID 440259
3-(2,4-Dioxoimidazolidin-1-yl)alanine
CID 3035628
3-amino-N-(carboxycarbonyl)-DL-alanine
CID 107978
3-Amino-N-(carboxycarbonyl)-L-alanine
CID 6454151
L-Oxalylalbizziine
CID 14632981
(2S)-3-(carbamoylamino)-2-(oxaloamino)propanoic acid
CID 163190689
D-Dencichin
CID 71440863
1-Carbamoyl-2-oxoimidazolidine-4-carboxylic acid
CID 69693763
(s)-3-(Carboxyformamido)-2-(3-(carboxymethyl)ureido) propanoic acid
CID 155035454
(r)-3-Amino-2-ureidopropanoic acid
CID 55291434
(r)-2,3-Diureidopropanoic acid
CID 176472681

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid (CID 14632982) is (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid is N[C@@H](CNC(=O)NC(=O)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid?
The InChIKey is WLHZKQYVDKRZKW-REOHCLBHSA-N. The full InChI is InChI=1S/C6H9N3O6/c7-2(4(11)12)1-8-6(15)9-3(10)5(13)14/h2H,1,7H2,(H,11,12)(H,13,14)(H2,8,9,10,15)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid?
(2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid has a molecular weight of 219.15 g/mol, XLogP of -2.69, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(oxalocarbamoylamino)propanoic acid is sourced from PubChem (CID 14632982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).