2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid

C8H15NO3 — CID 15640238

IUPAC2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid
SMILESCN(C=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H15NO3/c1-8(2,3)6(7(11)12)9(4)5-10/h5-6H,1-4H3,(H,11,12)
InChIKeyNRLMTUOSRYXRDU-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.57
Rot. Bonds3

About 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid

2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 15640238) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid
PubChem CID15640238
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid
SMILESCN(C=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H15NO3/c1-8(2,3)6(7(11)12)9(4)5-10/h5-6H,1-4H3,(H,11,12)
InChIKeyNRLMTUOSRYXRDU-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 92534057
N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide
CID 135183355
(2S)-2-[bis(trideuteriomethyl)amino]-3,3-dimethylbutanoic acid
CID 171714004
2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid
CID 175562257
2-[formyl(methyl)amino]-3-phenylbutanoic acid
CID 63689996
(2S)-2-(dimethylamino)-3,3-dimethylbutanamide
CID 87149989
2-(dimethylamino)-3-methyl-5-oxopentanoic acid
CID 175114199
2-[formyl(methyl)amino]-5-methylsulfanylpentanoic acid
CID 103089381
2-butylhexanoic acid;N,N-dimethylformamide
CID 19350390
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
CID 22908716
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid (CID 15640238) is 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid is CN(C=O)C(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is NRLMTUOSRYXRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)6(7(11)12)9(4)5-10/h5-6H,1-4H3,(H,11,12).
What are the key properties of 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid?
2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(methyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 15640238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).