2-acetamido-2-methylpropanoic acid;ethane

C8H17NO3 — CID 142087544

IUPAC2-acetamido-2-methylpropanoic acid;ethane
SMILESCC.CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C6H11NO3.C2H6/c1-4(8)7-6(2,3)5(9)10;1-2/h1-3H3,(H,7,8)(H,9,10);1-2H3
InChIKeyYMDRNFYGLPFPSY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.01
Rot. Bonds2

About 2-acetamido-2-methylpropanoic acid;ethane

2-acetamido-2-methylpropanoic acid;ethane (PubChem CID 142087544) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-acetamido-2-methylpropanoic acid;ethane.

Molecular Properties

Compound Name2-acetamido-2-methylpropanoic acid;ethane
PubChem CID142087544
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-acetamido-2-methylpropanoic acid;ethane
SMILESCC.CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C6H11NO3.C2H6/c1-4(8)7-6(2,3)5(9)10;1-2/h1-3H3,(H,7,8)(H,9,10);1-2H3
InChIKeyYMDRNFYGLPFPSY-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(trifluoroacetamido)propanoic acid
CID 303594
(tert-Butylamino)(oxo)acetic acid
CID 5187990
1-Acetamidocyclopropane-1-carboxylic acid
CID 20431059
N-oxalyl-alpha-methylalanine
CID 14991444
N-acetyl-2-methylalanine
CID 233700
2-Methylalanyl-2-methylalanine
CID 547865
2-Methyl-N-propionylalanine
CID 20132013
N-acetyl-isovaline
CID 71355971
2-Methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid;hydrochloride
CID 87675801
2-Acetamido-2,3-dimethylbutanoic acid
CID 233805
2-(Acetylamino)-2-methylpropanoic acid
CID 450575
(2S)-2-acetamido-2,3-dimethylbutanoic acid
CID 92172832

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-methylpropanoic acid;ethane?
The IUPAC name of 2-acetamido-2-methylpropanoic acid;ethane (CID 142087544) is 2-acetamido-2-methylpropanoic acid;ethane.
What is the SMILES notation for 2-acetamido-2-methylpropanoic acid;ethane?
The canonical SMILES for 2-acetamido-2-methylpropanoic acid;ethane is CC.CC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-acetamido-2-methylpropanoic acid;ethane?
The InChIKey is YMDRNFYGLPFPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C2H6/c1-4(8)7-6(2,3)5(9)10;1-2/h1-3H3,(H,7,8)(H,9,10);1-2H3.
What are the key properties of 2-acetamido-2-methylpropanoic acid;ethane?
2-acetamido-2-methylpropanoic acid;ethane has a molecular weight of 175.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-methylpropanoic acid;ethane is sourced from PubChem (CID 142087544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).