2-[acetyl(methyl)amino]acetic acid

C5H9NO3 — CID 10975514

IUPAC2-[acetyl(methyl)amino]acetic acid
SMILESCC(=O)N(C)CC(=O)O
InChIInChI=1S/C5H9NO3/c1-4(7)6(2)3-5(8)9/h3H2,1-2H3,(H,8,9)
InChIKeySVXPSKKRNACRPB-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.45
Rot. Bonds2

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

2-[acetyl(methyl)amino]acetic acid (PubChem CID 10975514) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]acetic acid
PubChem CID10975514
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-[acetyl(methyl)amino]acetic acid
SMILESCC(=O)N(C)CC(=O)O
InChIInChI=1S/C5H9NO3/c1-4(7)6(2)3-5(8)9/h3H2,1-2H3,(H,8,9)
InChIKeySVXPSKKRNACRPB-UHFFFAOYSA-N
XLogP-0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethylglycine
CID 673
N,N,N-trimethylglycinium
CID 248
Glycylsarcosine
CID 93131
N-methyliminodiacetic acid
CID 20441
N,N-Diethylglycine
CID 74151
[14C]GlySar
CID 73755101
N,N-Diethylglycine hydrochloride
CID 458470
(Diethylamino)(oxo)acetic acid
CID 4180752
[11C]Glycylsarcosine
CID 24971238
2-[Carboxymethyl(ethyl)amino]acetic acid
CID 219585
2-[(Methoxycarbonyl)(methyl)amino]acetic acid
CID 14346035
2-(N,2-dimethylpropanamido)acetic acid
CID 15640234

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]acetic acid (CID 10975514) is 2-[acetyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]acetic acid is CC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[acetyl(methyl)amino]acetic acid?
The InChIKey is SVXPSKKRNACRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(7)6(2)3-5(8)9/h3H2,1-2H3,(H,8,9).
What are the key properties of 2-[acetyl(methyl)amino]acetic acid?
2-[acetyl(methyl)amino]acetic acid has a molecular weight of 131.13 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]acetic acid is sourced from PubChem (CID 10975514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).