2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid

C6H13N3O5 — CID 22843328

IUPAC2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)C[C@H](N)C(=O)O.NCC(=O)O
InChIInChI=1S/C4H8N2O3.C2H5NO2/c5-2(4(8)9)1-3(6)7;3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);1,3H2,(H,4,5)/t2-;/m0./s1
InChIKeyFZUBHJJEYNHYFU-DKWTVANSSA-N
MW207.19 g/mol
LogP-2.70
Rot. Bonds4

About 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid

2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid (PubChem CID 22843328) has the molecular formula C6H13N3O5 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid
PubChem CID22843328
Molecular FormulaC6H13N3O5
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid
SMILESNC(=O)C[C@H](N)C(=O)O.NCC(=O)O
InChIInChI=1S/C4H8N2O3.C2H5NO2/c5-2(4(8)9)1-3(6)7;3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);1,3H2,(H,4,5)/t2-;/m0./s1
InChIKeyFZUBHJJEYNHYFU-DKWTVANSSA-N
XLogP-2.70
TPSA169.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid (CID 22843328) is 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid is NC(=O)C[C@H](N)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
The InChIKey is FZUBHJJEYNHYFU-DKWTVANSSA-N. The full InChI is InChI=1S/C4H8N2O3.C2H5NO2/c5-2(4(8)9)1-3(6)7;3-1-2(4)5/h2H,1,5H2,(H2,6,7)(H,8,9);1,3H2,(H,4,5)/t2-;/m0./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid?
2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid has a molecular weight of 207.19 g/mol, XLogP of -2.70, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2,4-diamino-4-oxobutanoic acid is sourced from PubChem (CID 22843328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).