2-formamido-2-methylbutanoic acid

C6H11NO3 — CID 567616

IUPAC2-formamido-2-methylbutanoic acid
SMILESCCC(C)(NC=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-6(2,5(9)10)7-4-8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyRNYWSZRNDSBYAY-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.01
Rot. Bonds4

About 2-formamido-2-methylbutanoic acid

2-formamido-2-methylbutanoic acid (PubChem CID 567616) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-formamido-2-methylbutanoic acid.

Molecular Properties

Compound Name2-formamido-2-methylbutanoic acid
PubChem CID567616
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-formamido-2-methylbutanoic acid
SMILESCCC(C)(NC=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-3-6(2,5(9)10)7-4-8/h4H,3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyRNYWSZRNDSBYAY-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-formyl-L-valine
CID 6950945
Formylvaline
CID 100123
2-Formamidobutanoic acid
CID 559455
2-Methyl-2-(methylamino)butanoic acid hydrochloride
CID 53443974
1-(Methylamino)cyclopropane-1-carboxylic acid
CID 386197
(-)-N-Formyl-L-tert-leucine
CID 4225687
(S)-2-Formylamino-3,3-dimethyl-butyric acid
CID 6931667
N-acetyl-isovaline
CID 71355971
2-Methyl-2-(methylamino)butanoic acid
CID 43753572
2,4,4-Trifluoro-2-formamido-3-methylbutanoic acid
CID 122442164
1-Formamidocyclopropane-1-carboxylic acid
CID 19860724
Formyl-D-valin
CID 129632921

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2-methylbutanoic acid?
The IUPAC name of 2-formamido-2-methylbutanoic acid (CID 567616) is 2-formamido-2-methylbutanoic acid.
What is the SMILES notation for 2-formamido-2-methylbutanoic acid?
The canonical SMILES for 2-formamido-2-methylbutanoic acid is CCC(C)(NC=O)C(=O)O.
What is the InChIKey of 2-formamido-2-methylbutanoic acid?
The InChIKey is RNYWSZRNDSBYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-6(2,5(9)10)7-4-8/h4H,3H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2-formamido-2-methylbutanoic acid?
2-formamido-2-methylbutanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2-methylbutanoic acid is sourced from PubChem (CID 567616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).