methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride

C7H15ClN2O3 — CID 155943272

IUPACmethyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(=O)CCN.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-9(5-7(11)12-2)6(10)3-4-8;/h3-5,8H2,1-2H3;1H
InChIKeyHVTLQOOCGSESDZ-UHFFFAOYSA-N
MW210.66 g/mol
LogP-0.61
Rot. Bonds4

About methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride

methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride (PubChem CID 155943272) has the molecular formula C7H15ClN2O3 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
PubChem CID155943272
Molecular FormulaC7H15ClN2O3
Molecular Weight210.66 g/mol
Exact Mass210.08
IUPAC Namemethyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride
SMILESCOC(=O)CN(C)C(=O)CCN.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-9(5-7(11)12-2)6(10)3-4-8;/h3-5,8H2,1-2H3;1H
InChIKeyHVTLQOOCGSESDZ-UHFFFAOYSA-N
XLogP-0.61
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[methyl(propanoyl)amino]acetate
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methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
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methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
CID 43407517
methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
CID 115426447
3-amino-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 165148153
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761
methyl 2-[3-cyclohexylpropanoyl(methyl)amino]acetate
CID 43407455
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128188
methyl 3-[2-aminoethyl(methyl)amino]-3-oxopropanoate
CID 117126525
methyl 2-[3-(3,4-difluorophenyl)propanoyl-methylamino]acetate
CID 43431151

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride (CID 155943272) is methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride is COC(=O)CN(C)C(=O)CCN.Cl.
What is the InChIKey of methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride?
The InChIKey is HVTLQOOCGSESDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3.ClH/c1-9(5-7(11)12-2)6(10)3-4-8;/h3-5,8H2,1-2H3;1H.
What are the key properties of methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride?
methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-aminopropanoyl(methyl)amino]acetate;hydrochloride is sourced from PubChem (CID 155943272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).