(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid

C11H21NO2 — CID 10560941

IUPAC(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](/N=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-8(2)6-9(10(13)14)12-7-11(3,4)5/h7-9H,6H2,1-5H3,(H,13,14)/b12-7+/t9-/m0/s1
InChIKeyBPXRKKIIZRNGSG-SZUMLMDFSA-N
MW199.29 g/mol
LogP2.60
Rot. Bonds4

About (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid

(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid (PubChem CID 10560941) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid
PubChem CID10560941
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](/N=C/C(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO2/c1-8(2)6-9(10(13)14)12-7-11(3,4)5/h7-9H,6H2,1-5H3,(H,13,14)/b12-7+/t9-/m0/s1
InChIKeyBPXRKKIIZRNGSG-SZUMLMDFSA-N
XLogP2.60
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 67446336
2-Methyl-3,4-dihydropyrrole-2-carboxylic acid
CID 91365567
(2S)-4-methyl-2-(undecylideneamino)pentanoic acid
CID 87991654
4-Methyl-2-(4-oxopentan-2-ylideneamino)pentanoic acid
CID 91329894
(2S,4R)-4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 91819835
4-Methyl-2-(2-methylpropylideneamino)pentanoic acid
CID 14469826
4,4-Dimethyl-2-(methyliminomethyl)pentanoic acid
CID 57083214
4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 76225648
2-(Ethylideneamino)-4-methylpentanoic acid
CID 87797050
(2S)-4-methyl-2-(methylideneamino)pentanoic acid
CID 89025252
(2R)-2-(2,2-dimethylpropylideneamino)-3-methylbutanoic acid
CID 89787674
(2S,4S)-4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CID 101221776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid (CID 10560941) is (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid is CC(C)C[C@H](/N=C/C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid?
The InChIKey is BPXRKKIIZRNGSG-SZUMLMDFSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)6-9(10(13)14)12-7-11(3,4)5/h7-9H,6H2,1-5H3,(H,13,14)/b12-7+/t9-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid?
(2S)-2-(2,2-dimethylpropylideneamino)-4-methylpentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.60, 4 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)-4-methylpentanoic acid is sourced from PubChem (CID 10560941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).