(2S)-4-methyl-2-(methylideneamino)pentanoic acid

C7H13NO2 — CID 89025252

IUPAC(2S)-4-methyl-2-(methylideneamino)pentanoic acid
SMILESC=N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)4-6(8-3)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyFEZGDJZNXQUCLM-LURJTMIESA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds4

About (2S)-4-methyl-2-(methylideneamino)pentanoic acid

(2S)-4-methyl-2-(methylideneamino)pentanoic acid (PubChem CID 89025252) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-4-methyl-2-(methylideneamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(methylideneamino)pentanoic acid
PubChem CID89025252
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-4-methyl-2-(methylideneamino)pentanoic acid
SMILESC=N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H13NO2/c1-5(2)4-6(8-3)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyFEZGDJZNXQUCLM-LURJTMIESA-N
XLogP1.19
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(methylideneamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(methylideneamino)pentanoic acid (CID 89025252) is (2S)-4-methyl-2-(methylideneamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(methylideneamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(methylideneamino)pentanoic acid is C=N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(methylideneamino)pentanoic acid?
The InChIKey is FEZGDJZNXQUCLM-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)4-6(8-3)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(methylideneamino)pentanoic acid?
(2S)-4-methyl-2-(methylideneamino)pentanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(methylideneamino)pentanoic acid is sourced from PubChem (CID 89025252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).