methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride

C11H21ClN2O4 — CID 119726630

IUPACmethyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-16-11(15)4-5-13-10(14)8-12-7-9-3-2-6-17-9;/h9,12H,2-8H2,1H3,(H,13,14);1H
InChIKeyYGJDUPPKYLXWNE-UHFFFAOYSA-N
MW280.75 g/mol
LogP-0.14
Rot. Bonds7

About methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride

methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride (PubChem CID 119726630) has the molecular formula C11H21ClN2O4 and a molecular weight of 280.75 g/mol. Its IUPAC name is methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
PubChem CID119726630
Molecular FormulaC11H21ClN2O4
Molecular Weight280.75 g/mol
Exact Mass280.12
IUPAC Namemethyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride
SMILESCOC(=O)CCNC(=O)CNCC1CCCO1.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-16-11(15)4-5-13-10(14)8-12-7-9-3-2-6-17-9;/h9,12H,2-8H2,1H3,(H,13,14);1H
InChIKeyYGJDUPPKYLXWNE-UHFFFAOYSA-N
XLogP-0.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
N-(cyclohexylmethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672529
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
2-(2-methoxyethylamino)-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 119670121
N-[3-(dimethylamino)propyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994233
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
N-(2-morpholin-4-ylethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 108994232
ethyl 4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]butanoate
CID 60687916
2-(2-methoxyethylamino)-N-(oxan-2-ylmethyl)acetamide
CID 79281834

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride (CID 119726630) is methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride is COC(=O)CCNC(=O)CNCC1CCCO1.Cl.
What is the InChIKey of methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride?
The InChIKey is YGJDUPPKYLXWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4.ClH/c1-16-11(15)4-5-13-10(14)8-12-7-9-3-2-6-17-9;/h9,12H,2-8H2,1H3,(H,13,14);1H.
What are the key properties of methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride?
methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 119726630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).