methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride

C10H21ClN2O3 — CID 120500179

IUPACmethyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-6(10(14)15-4)5-12-9(13)7(2)8(3)11;/h6-8H,5,11H2,1-4H3,(H,12,13);1H
InChIKeyUGHDCWXHIJJLRZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP0.32
Rot. Bonds5

About methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride

methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride (PubChem CID 120500179) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
PubChem CID120500179
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Namemethyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-6(10(14)15-4)5-12-9(13)7(2)8(3)11;/h6-8H,5,11H2,1-4H3,(H,12,13);1H
InChIKeyUGHDCWXHIJJLRZ-UHFFFAOYSA-N
XLogP0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;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

3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
CID 120502078
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
CID 103581045
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methylpropanoate
CID 120791632
methyl 2-[[(3-amino-2-methylbutanoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 120500577
methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate
CID 103493307
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride (CID 120500179) is methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride is COC(=O)C(C)CNC(=O)C(C)C(C)N.Cl.
What is the InChIKey of methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
The InChIKey is UGHDCWXHIJJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-6(10(14)15-4)5-12-9(13)7(2)8(3)11;/h6-8H,5,11H2,1-4H3,(H,12,13);1H.
What are the key properties of methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride?
methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 120500179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).