4-methylpentyl 2-amino-4-methylpentanoate

C12H25NO2 — CID 61304078

IUPAC4-methylpentyl 2-amino-4-methylpentanoate
SMILESCC(C)CCCOC(=O)C(N)CC(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)6-5-7-15-12(14)11(13)8-10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyGDXGRJGXQIFMLO-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.34
Rot. Bonds7

About 4-methylpentyl 2-amino-4-methylpentanoate

4-methylpentyl 2-amino-4-methylpentanoate (PubChem CID 61304078) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-methylpentyl 2-amino-4-methylpentanoate.

Molecular Properties

Compound Name4-methylpentyl 2-amino-4-methylpentanoate
PubChem CID61304078
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-methylpentyl 2-amino-4-methylpentanoate
SMILESCC(C)CCCOC(=O)C(N)CC(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)6-5-7-15-12(14)11(13)8-10(3)4/h9-11H,5-8,13H2,1-4H3
InChIKeyGDXGRJGXQIFMLO-UHFFFAOYSA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methylpentyl 2-amino-4-methylpentanoate 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

ethanesulfonic acid;16-methylheptadecyl (2S)-2-amino-4-methylpentanoate
CID 175842395
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
4-methylpentyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 61302105
[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
CID 139407331
bis(4-methylpentyl) oxalate
CID 6420411
bis(6-methylheptyl) 2,3-dihydroxybutanedioate
CID 87505003
16-methylheptadecyl (2S)-2-aminopropanoate
CID 138561160
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
4-methylpentyl carbonate
CID 19420106
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-amino-4-methylpentanoate?
The IUPAC name of 4-methylpentyl 2-amino-4-methylpentanoate (CID 61304078) is 4-methylpentyl 2-amino-4-methylpentanoate.
What is the SMILES notation for 4-methylpentyl 2-amino-4-methylpentanoate?
The canonical SMILES for 4-methylpentyl 2-amino-4-methylpentanoate is CC(C)CCCOC(=O)C(N)CC(C)C.
What is the InChIKey of 4-methylpentyl 2-amino-4-methylpentanoate?
The InChIKey is GDXGRJGXQIFMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)6-5-7-15-12(14)11(13)8-10(3)4/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 4-methylpentyl 2-amino-4-methylpentanoate?
4-methylpentyl 2-amino-4-methylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-amino-4-methylpentanoate is sourced from PubChem (CID 61304078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).