methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate

C10H19NO2 — CID 10058235

IUPACmethyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate
SMILESCOC(=O)[C@@H](/N=C/C(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)6-11-9(8(3)4)10(12)13-5/h6-9H,1-5H3/b11-6+/t9-/m0/s1
InChIKeySOAUWLMOOYKMBL-CAXXOGMASA-N
MW185.27 g/mol
LogP1.91
Rot. Bonds4

About methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate

methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate (PubChem CID 10058235) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate.

Molecular Properties

Compound Namemethyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate
PubChem CID10058235
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate
SMILESCOC(=O)[C@@H](/N=C/C(C)C)C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)6-11-9(8(3)4)10(12)13-5/h6-9H,1-5H3/b11-6+/t9-/m0/s1
InChIKeySOAUWLMOOYKMBL-CAXXOGMASA-N
XLogP1.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-((E)-2,2,2-Trifluoroethylideneamino)-3-methylbutyric acid methyl ester
CID 86706054
5(4H)-Oxazolone, 4-(1-methylethyl)-
CID 10855464
methyl (2S)-3-methyl-2-(methylideneamino)butanoate
CID 15723064
[3-methyl-but-(E)-ylideneamino]-acetic acid methyl ester
CID 87096444
methyl (2R)-3-methyl-2-(2,2,2-trifluoroethylideneamino)butanoate
CID 118175703
Methyl 3-methyl-2-(2,2,2-trifluoroethylideneamino)butanoate
CID 123814865
2-tert-butyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 14905591
sodium (2S)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoate
CID 134892439
Methyl 3-methyl-2-(methylideneamino)butanoate
CID 15409374
Methyl 3-(2-methoxy-2-oxoethyl)imino-2-methylbutanoate
CID 53757469
Ethyl 3-(2-ethoxy-2-oxoethyl)imino-2-methylbutanoate
CID 54328700
Methyl 3-methyl-2-(2-methylpropylideneamino)butanoate
CID 85106742

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate?
The IUPAC name of methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate (CID 10058235) is methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate.
What is the SMILES notation for methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate?
The canonical SMILES for methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate is COC(=O)[C@@H](/N=C/C(C)C)C(C)C.
What is the InChIKey of methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate?
The InChIKey is SOAUWLMOOYKMBL-CAXXOGMASA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)6-11-9(8(3)4)10(12)13-5/h6-9H,1-5H3/b11-6+/t9-/m0/s1.
What are the key properties of methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate?
methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-methyl-2-(2-methylpropylideneamino)butanoate is sourced from PubChem (CID 10058235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).