2-formamido-2,3-dimethylbutanoic acid

C7H13NO3 — CID 63688185

IUPAC2-formamido-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)7(3,6(10)11)8-4-9/h4-5H,1-3H3,(H,8,9)(H,10,11)
InChIKeyCARGLITWIZVKLG-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.23
Rot. Bonds4

About 2-formamido-2,3-dimethylbutanoic acid

2-formamido-2,3-dimethylbutanoic acid (PubChem CID 63688185) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-formamido-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-formamido-2,3-dimethylbutanoic acid
PubChem CID63688185
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-formamido-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(NC=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)7(3,6(10)11)8-4-9/h4-5H,1-3H3,(H,8,9)(H,10,11)
InChIKeyCARGLITWIZVKLG-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

2,2-diformamidopropanoic acid
CID 87109916
2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
CID 115910241
2-(hexa-2,4-dienoylamino)-2,3-dimethylbutanoic acid
CID 103925867
2-(cyclopentylamino)-2,3-dimethylbutanoic acid
CID 62488797
2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 115910220
2,3-dimethyl-2-(4-methylsulfanylbutanoylamino)butanoic acid
CID 115910237
2-formamido-2-methylpentanoic acid
CID 61145661
N-(1,1-dihydroxyethyl)formamide
CID 87394549
2-ethyl-2-formamidobutanoic acid
CID 63689307
2,3-dimethyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 115910203
[(3S)-4,4-dimethyl-3-propan-2-ylpent-1-en-3-yl]carbamic acid
CID 87599937
(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567

Frequently Asked Questions

What is the IUPAC name of 2-formamido-2,3-dimethylbutanoic acid?
The IUPAC name of 2-formamido-2,3-dimethylbutanoic acid (CID 63688185) is 2-formamido-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-formamido-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-formamido-2,3-dimethylbutanoic acid is CC(C)C(C)(NC=O)C(=O)O.
What is the InChIKey of 2-formamido-2,3-dimethylbutanoic acid?
The InChIKey is CARGLITWIZVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)7(3,6(10)11)8-4-9/h4-5H,1-3H3,(H,8,9)(H,10,11).
What are the key properties of 2-formamido-2,3-dimethylbutanoic acid?
2-formamido-2,3-dimethylbutanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-2,3-dimethylbutanoic acid is sourced from PubChem (CID 63688185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).