(2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid

C10H19NO2 — CID 86740762

IUPAC(2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](/N=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-6-10(3,4)5/h6-8H,1-5H3,(H,12,13)/b11-6+/t8-/m0/s1
InChIKeyYSTBVSDRCUVCQA-KIFNTFBYSA-N
MW185.27 g/mol
LogP2.21
Rot. Bonds3

About (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid

(2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid (PubChem CID 86740762) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid
PubChem CID86740762
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](/N=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-6-10(3,4)5/h6-8H,1-5H3,(H,12,13)/b11-6+/t8-/m0/s1
InChIKeyYSTBVSDRCUVCQA-KIFNTFBYSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

n-Methylenvaline
CID 55300998
sodium (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoate
CID 134892439
4-Methyl-2-(2-methylpropylideneamino)pentanoic acid
CID 14469826
2-(Tert-butyliminomethyl)butanoic acid
CID 56991441
2-(2,2-Dimethylpropylideneamino)propanoic acid
CID 74601458
3-Methyl-2-(methylideneamino)butanoic acid
CID 76225644
2-[(1-Methoxy-3-methylbutylidene)amino]propanoic acid
CID 87684910
(2S)-3-methyl-2-(undecylideneamino)butanoic acid
CID 87991050
(2S)-3,3-dimethyl-2-(methylideneamino)butanoic acid
CID 89419772
(2R)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid
CID 89787674
3-Methyl-2-[1-[(methylideneamino)methylimino]propan-2-ylideneamino]butanoic acid
CID 91311364
2-(Butyliminomethyl)butanoic acid
CID 91549350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid (CID 86740762) is (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid is CC(C)[C@H](/N=C/C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid?
The InChIKey is YSTBVSDRCUVCQA-KIFNTFBYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8(9(12)13)11-6-10(3,4)5/h6-8H,1-5H3,(H,12,13)/b11-6+/t8-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid?
(2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid has a molecular weight of 185.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid is sourced from PubChem (CID 86740762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).