2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid

C9H17NO3 — CID 87684910

IUPAC2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid
SMILESCO/C(CC(C)C)=N\C(C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(2)5-8(13-4)10-7(3)9(11)12/h6-7H,5H2,1-4H3,(H,11,12)/b10-8-
InChIKeyZPBFMRSYJQBWIU-NTMALXAHSA-N
MW187.24 g/mol
LogP1.55
Rot. Bonds4

About 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid

2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid (PubChem CID 87684910) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid
PubChem CID87684910
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid
SMILESCO/C(CC(C)C)=N\C(C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(2)5-8(13-4)10-7(3)9(11)12/h6-7H,5H2,1-4H3,(H,11,12)/b10-8-
InChIKeyZPBFMRSYJQBWIU-NTMALXAHSA-N
XLogP1.55
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl (1Z)-N-tert-butylsulfinyl-3-methylbutanimidate
CID 177473365
methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate
CID 172929554
(2S)-2-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 142796198
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
2-(diaminomethylideneamino)propanoic acid;hydrate
CID 141309019
3-methylbutanoic acid
CID 20849036
methyl 4-methyl-2-methyliminopentanoate
CID 123195850
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
methyl 3-methylbutanoate;2-methylprop-2-enoic acid
CID 174979743
CID 87948469
CID 87948469
2,8-dimethylnonane-4,5,6-trione
CID 141143930
argon;3-methylbutanoic acid
CID 158006921

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid?
The IUPAC name of 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid (CID 87684910) is 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid.
What is the SMILES notation for 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid?
The canonical SMILES for 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid is CO/C(CC(C)C)=N\C(C)C(=O)O.
What is the InChIKey of 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid?
The InChIKey is ZPBFMRSYJQBWIU-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)5-8(13-4)10-7(3)9(11)12/h6-7H,5H2,1-4H3,(H,11,12)/b10-8-.
What are the key properties of 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid?
2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methylbutylidene)amino]propanoic acid is sourced from PubChem (CID 87684910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).