3-acetamido-2,2-dimethylpropanoic acid

C7H13NO3 — CID 79006608

IUPAC3-acetamido-2,2-dimethylpropanoic acid
SMILESCC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(9)8-4-7(2,3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11)
InChIKeyMUGGYLDPNUJPRL-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.23
Rot. Bonds3

About 3-acetamido-2,2-dimethylpropanoic acid

3-acetamido-2,2-dimethylpropanoic acid (PubChem CID 79006608) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-acetamido-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-acetamido-2,2-dimethylpropanoic acid
PubChem CID79006608
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-acetamido-2,2-dimethylpropanoic acid
SMILESCC(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(9)8-4-7(2,3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11)
InChIKeyMUGGYLDPNUJPRL-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Acetyl-beta-alanine
CID 76406
3-(3-Aminopropanoylamino)propanoic acid
CID 263465
3-Acetamidopropanoate
CID 6950953
Glycyl-beta-alanine
CID 97048
3-[(2-Methylpropyl)amino]propanoic acid
CID 16228510
2-(Ethylcarbamoyl)acetic acid
CID 13151023
3-[(2,2-Dimethylpropanoyl)amino]propanoic acid
CID 16227981
3-(3-Methylbutanamido)propanoic acid
CID 16228462
3-Acetamido-2-methylpropanoic acid
CID 11665431
3-(Ethylamino)propanoic acid
CID 12227201
3-(Propylamino)propanoic acid
CID 13859969
3-(Carboxyamino)-2-methylpropanoic acid
CID 122599763

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2,2-dimethylpropanoic acid?
The IUPAC name of 3-acetamido-2,2-dimethylpropanoic acid (CID 79006608) is 3-acetamido-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-acetamido-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-acetamido-2,2-dimethylpropanoic acid is CC(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-acetamido-2,2-dimethylpropanoic acid?
The InChIKey is MUGGYLDPNUJPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(9)8-4-7(2,3)6(10)11/h4H2,1-3H3,(H,8,9)(H,10,11).
What are the key properties of 3-acetamido-2,2-dimethylpropanoic acid?
3-acetamido-2,2-dimethylpropanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79006608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).