methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride

C9H19ClN2O3 — CID 155822137

IUPACmethyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride
SMILESCNCCCC(=O)N(C)CC(=O)OC.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-10-6-4-5-8(12)11(2)7-9(13)14-3;/h10H,4-7H2,1-3H3;1H
InChIKeyDOAYJFCYPAIHRX-UHFFFAOYSA-N
MW238.71 g/mol
LogP0.04
Rot. Bonds6

About methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride

methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride (PubChem CID 155822137) has the molecular formula C9H19ClN2O3 and a molecular weight of 238.71 g/mol. Its IUPAC name is methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride
PubChem CID155822137
Molecular FormulaC9H19ClN2O3
Molecular Weight238.71 g/mol
Exact Mass238.11
IUPAC Namemethyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride
SMILESCNCCCC(=O)N(C)CC(=O)OC.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-10-6-4-5-8(12)11(2)7-9(13)14-3;/h10H,4-7H2,1-3H3;1H
InChIKeyDOAYJFCYPAIHRX-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride 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

Methyl N-isovalerylglycine
CID 533941
n-Valerylglycine, methyl ester
CID 4629606
Glycine, N-((2-oxo-1-pyrrolidinyl)acetyl)-, 2-(dimethylamino)ethyl ester
CID 3076736
L-Alanine, N-butyryl-, methyl ester
CID 533387
Butyrylamino-acetic acid methyl ester
CID 4777936
N-(2-Methyl-1-oxobutyl)glycine methyl ester
CID 6429409
Methyl 2-(4-(methylamino)butanamido)acetate hydrochloride
CID 155820443
ethyl 2-[N-methyl-3-(methylamino)propanamido]acetate hydrochloride
CID 155858457
Ethyl 2-(3-(dimethylamino)propanamido)acetate hydrochloride
CID 155858467
Methyl 2-[3-(dimethylamino)propanamido]pentanoate hydrochloride
CID 155858468
methyl 2-(3-amino-N-methylpropanamido)acetate hydrochloride
CID 155943272
Methyl 2-(3-(dimethylamino)propanamido)acetate
CID 165888091

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride (CID 155822137) is methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride is CNCCCC(=O)N(C)CC(=O)OC.Cl.
What is the InChIKey of methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride?
The InChIKey is DOAYJFCYPAIHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.ClH/c1-10-6-4-5-8(12)11(2)7-9(13)14-3;/h10H,4-7H2,1-3H3;1H.
What are the key properties of methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride?
methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride has a molecular weight of 238.71 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[4-(methylamino)butanoyl]amino]acetate;hydrochloride is sourced from PubChem (CID 155822137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).