methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride

C12H25ClN2O4 — CID 120589059

IUPACmethyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
SMILESCCCC(C)(NC(=O)CC(CN)OC)C(=O)OC.Cl
InChIInChI=1S/C12H24N2O4.ClH/c1-5-6-12(2,11(16)18-4)14-10(15)7-9(8-13)17-3;/h9H,5-8,13H2,1-4H3,(H,14,15);1H
InChIKeySKSLLYLCLHSMDU-UHFFFAOYSA-N
MW296.80 g/mol
LogP0.62
Rot. Bonds8

About methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride

methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride (PubChem CID 120589059) has the molecular formula C12H25ClN2O4 and a molecular weight of 296.80 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
PubChem CID120589059
Molecular FormulaC12H25ClN2O4
Molecular Weight296.80 g/mol
Exact Mass296.15
IUPAC Namemethyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
SMILESCCCC(C)(NC(=O)CC(CN)OC)C(=O)OC.Cl
InChIInChI=1S/C12H24N2O4.ClH/c1-5-6-12(2,11(16)18-4)14-10(15)7-9(8-13)17-3;/h9H,5-8,13H2,1-4H3,(H,14,15);1H
InChIKeySKSLLYLCLHSMDU-UHFFFAOYSA-N
XLogP0.62
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
CID 103155472
methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 119729099
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate
CID 119729113
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride?
The IUPAC name of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride (CID 120589059) is methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride.
What is the SMILES notation for methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride?
The canonical SMILES for methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride is CCCC(C)(NC(=O)CC(CN)OC)C(=O)OC.Cl.
What is the InChIKey of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride?
The InChIKey is SKSLLYLCLHSMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4.ClH/c1-5-6-12(2,11(16)18-4)14-10(15)7-9(8-13)17-3;/h9H,5-8,13H2,1-4H3,(H,14,15);1H.
What are the key properties of methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride?
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride is sourced from PubChem (CID 120589059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).