2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid

C10H18N2O4 — CID 107440730

IUPAC2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid
SMILESCC1CCC(CN(CC(N)=O)CC(=O)O)O1
InChIInChI=1S/C10H18N2O4/c1-7-2-3-8(16-7)4-12(5-9(11)13)6-10(14)15/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyXUAWHSOZAGLCEC-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.57
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid (PubChem CID 107440730) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid
PubChem CID107440730
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid
SMILESCC1CCC(CN(CC(N)=O)CC(=O)O)O1
InChIInChI=1S/C10H18N2O4/c1-7-2-3-8(16-7)4-12(5-9(11)13)6-10(14)15/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyXUAWHSOZAGLCEC-UHFFFAOYSA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(cyclobutylmethyl)amino]acetic acid
CID 107440783
2-[2-amino-N-[(5-methyloxolan-2-yl)methyl]anilino]acetic acid
CID 103134997
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
5-[[(2-amino-2-oxoethyl)-butylamino]methyl]oxolane-2-carboxylic acid
CID 62299250
5-[[(2-amino-2-oxoethyl)-methylamino]methyl]oxolane-2-carboxylic acid
CID 62298720
2-[(2-amino-2-oxoethyl)-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 107440629
2-methyl-3-[methyl-[(5-methyloxolan-2-yl)methyl]amino]propanoic acid
CID 82839853
2-[bis(oxiran-2-ylmethyl)amino]acetic acid
CID 19695060
2-amino-3-(5-methyloxolan-2-yl)propanamide
CID 103134581
3-[N-[(5-methyloxolan-2-yl)methyl]anilino]propanoic acid
CID 82839849
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
N'-(2-methoxyethyl)-N'-[(5-methyloxolan-2-yl)methyl]propane-1,3-diamine
CID 103133649

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid (CID 107440730) is 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid is CC1CCC(CN(CC(N)=O)CC(=O)O)O1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid?
The InChIKey is XUAWHSOZAGLCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7-2-3-8(16-7)4-12(5-9(11)13)6-10(14)15/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(5-methyloxolan-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 107440730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).