2-aminoacetamide;(2S)-2-aminopentanedioic acid

C7H15N3O5 — CID 88807329

IUPAC2-aminoacetamide;(2S)-2-aminopentanedioic acid
SMILESNCC(N)=O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C2H6N2O/c6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);1,3H2,(H2,4,5)/t3-;/m0./s1
InChIKeyXAXQXFCXYNYAET-DFWYDOINSA-N
MW221.21 g/mol
LogP-2.31
Rot. Bonds5

About 2-aminoacetamide;(2S)-2-aminopentanedioic acid

2-aminoacetamide;(2S)-2-aminopentanedioic acid (PubChem CID 88807329) has the molecular formula C7H15N3O5 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-aminoacetamide;(2S)-2-aminopentanedioic acid.

Molecular Properties

Compound Name2-aminoacetamide;(2S)-2-aminopentanedioic acid
PubChem CID88807329
Molecular FormulaC7H15N3O5
Molecular Weight221.21 g/mol
Exact Mass221.10
IUPAC Name2-aminoacetamide;(2S)-2-aminopentanedioic acid
SMILESNCC(N)=O.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C2H6N2O/c6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);1,3H2,(H2,4,5)/t3-;/m0./s1
InChIKeyXAXQXFCXYNYAET-DFWYDOINSA-N
XLogP-2.31
TPSA169.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-aminopentanedioic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 22791125
bis(2-aminopentanedioic acid);2,5-diamino-5-oxopentanoic acid
CID 134265308
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;trihydrochloride
CID 140679884
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-aminopentanedioic acid;bis((2S)-2,4-diamino-4-oxobutanoic acid)
CID 87695022

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetamide;(2S)-2-aminopentanedioic acid?
The IUPAC name of 2-aminoacetamide;(2S)-2-aminopentanedioic acid (CID 88807329) is 2-aminoacetamide;(2S)-2-aminopentanedioic acid.
What is the SMILES notation for 2-aminoacetamide;(2S)-2-aminopentanedioic acid?
The canonical SMILES for 2-aminoacetamide;(2S)-2-aminopentanedioic acid is NCC(N)=O.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminoacetamide;(2S)-2-aminopentanedioic acid?
The InChIKey is XAXQXFCXYNYAET-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.C2H6N2O/c6-3(5(9)10)1-2-4(7)8;3-1-2(4)5/h3H,1-2,6H2,(H,7,8)(H,9,10);1,3H2,(H2,4,5)/t3-;/m0./s1.
What are the key properties of 2-aminoacetamide;(2S)-2-aminopentanedioic acid?
2-aminoacetamide;(2S)-2-aminopentanedioic acid has a molecular weight of 221.21 g/mol, XLogP of -2.31, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetamide;(2S)-2-aminopentanedioic acid is sourced from PubChem (CID 88807329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).