3-acetamido-2-methylpropanoic acid

C6H11NO3 — CID 11665431

IUPAC3-acetamido-2-methylpropanoic acid
SMILESCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)3-7-5(2)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyDBKNTBMBKSLJRD-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.16
Rot. Bonds3

About 3-acetamido-2-methylpropanoic acid

3-acetamido-2-methylpropanoic acid (PubChem CID 11665431) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-acetamido-2-methylpropanoic acid.

Molecular Properties

Compound Name3-acetamido-2-methylpropanoic acid
PubChem CID11665431
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-acetamido-2-methylpropanoic acid
SMILESCC(=O)NCC(C)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)3-7-5(2)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyDBKNTBMBKSLJRD-UHFFFAOYSA-N
XLogP-0.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Isobutyrylglycine
CID 10855600
beta-Ureidoisobutyric acid
CID 160663
(2s)-3-(Carbamoylamino)-2-Methylpropanoic Acid
CID 88558720
N-Acetyl-beta-alanine
CID 76406
3-(3-Aminopropanoylamino)propanoic acid
CID 263465
(R)-3-Ureidoisobutyrate
CID 55289370
3-Acetamido-2,2-dimethylpropanoic acid
CID 79006608
3-Acetamidopropanoate
CID 6950953
Glycyl-beta-alanine
CID 97048
2-Methyl-3-(methylamino)propanoic acid
CID 18404486
3-[(2-Methylpropyl)amino]propanoic acid
CID 16228510
2-(Ethylcarbamoyl)acetic acid
CID 13151023

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-methylpropanoic acid?
The IUPAC name of 3-acetamido-2-methylpropanoic acid (CID 11665431) is 3-acetamido-2-methylpropanoic acid.
What is the SMILES notation for 3-acetamido-2-methylpropanoic acid?
The canonical SMILES for 3-acetamido-2-methylpropanoic acid is CC(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-acetamido-2-methylpropanoic acid?
The InChIKey is DBKNTBMBKSLJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(9)10)3-7-5(2)8/h4H,3H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 3-acetamido-2-methylpropanoic acid?
3-acetamido-2-methylpropanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-methylpropanoic acid is sourced from PubChem (CID 11665431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).