2-[methyl(propanoyl)amino]acetic acid

C6H11NO3 — CID 15574472

IUPAC2-[methyl(propanoyl)amino]acetic acid
SMILESCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C6H11NO3/c1-3-5(8)7(2)4-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyJKRASRDAHAREKD-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.06
Rot. Bonds3

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

2-[methyl(propanoyl)amino]acetic acid (PubChem CID 15574472) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[methyl(propanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(propanoyl)amino]acetic acid
PubChem CID15574472
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[methyl(propanoyl)amino]acetic acid
SMILESCCC(=O)N(C)CC(=O)O
InChIInChI=1S/C6H11NO3/c1-3-5(8)7(2)4-6(9)10/h3-4H2,1-2H3,(H,9,10)
InChIKeyJKRASRDAHAREKD-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propionylglycine
CID 98681
(Diethylamino)(oxo)acetic acid
CID 4180752
N-Acetyl-N-methylglycine
CID 10975514
2-[Methyl(3-sulfanylpropanoyl)amino]acetic acid
CID 13036947
2-(N,2-dimethylpropanamido)acetic acid
CID 15640234
N-Methyl-N-(3-methyl-1-oxobutyl)glycine
CID 137394
2-(1-cyclopropyl-N-methylformamido)acetic acid
CID 16778147
2-methyl-2-(N-methylacetamido)propanoic acid
CID 23279431
2-(Methyl(propyl)amino)acetic acid hydrochloride
CID 50988218
2-(2-Oxoazetidin-1-yl)acetic acid
CID 13631101
2,2'-(Propylazanediyl)diacetic acid
CID 15117138
N-acetyliminodiacetic acid
CID 10130190

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propanoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(propanoyl)amino]acetic acid (CID 15574472) is 2-[methyl(propanoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(propanoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(propanoyl)amino]acetic acid is CCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl(propanoyl)amino]acetic acid?
The InChIKey is JKRASRDAHAREKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-5(8)7(2)4-6(9)10/h3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-[methyl(propanoyl)amino]acetic acid?
2-[methyl(propanoyl)amino]acetic acid has a molecular weight of 145.16 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propanoyl)amino]acetic acid is sourced from PubChem (CID 15574472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).