2-[acetyl(methyl)amino]-2-aminoacetic acid

C5H10N2O3 — CID 87643203

IUPAC2-[acetyl(methyl)amino]-2-aminoacetic acid
SMILESCC(=O)N(C)C(N)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(8)7(2)4(6)5(9)10/h4H,6H2,1-2H3,(H,9,10)
InChIKeyGFJXEMJSPVZPKC-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.17
Rot. Bonds2

About 2-[acetyl(methyl)amino]-2-aminoacetic acid

2-[acetyl(methyl)amino]-2-aminoacetic acid (PubChem CID 87643203) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-aminoacetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-aminoacetic acid
PubChem CID87643203
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-[acetyl(methyl)amino]-2-aminoacetic acid
SMILESCC(=O)N(C)C(N)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(8)7(2)4(6)5(9)10/h4H,6H2,1-2H3,(H,9,10)
InChIKeyGFJXEMJSPVZPKC-UHFFFAOYSA-N
XLogP-1.17
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-(2-aminoacetyl)amino]-2-aminoacetic acid
CID 174764731
acetic acid;2,2-diaminoacetic acid
CID 129094898
(2S)-2-[acetyl(methyl)amino]propanamide
CID 55282132
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
CID 90471472
(2S)-2-aminopropanoic acid
CID 18446182
acetic acid;ethane-1,1-diamine
CID 157325550
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-aminoacetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-aminoacetic acid (CID 87643203) is 2-[acetyl(methyl)amino]-2-aminoacetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-aminoacetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-aminoacetic acid is CC(=O)N(C)C(N)C(=O)O.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-aminoacetic acid?
The InChIKey is GFJXEMJSPVZPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(8)7(2)4(6)5(9)10/h4H,6H2,1-2H3,(H,9,10).
What are the key properties of 2-[acetyl(methyl)amino]-2-aminoacetic acid?
2-[acetyl(methyl)amino]-2-aminoacetic acid has a molecular weight of 146.15 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-aminoacetic acid is sourced from PubChem (CID 87643203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).