2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid

C12H20N2O6 — CID 63645794

IUPAC2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CCCCO1)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O6/c1-13(6-9-4-2-3-5-20-9)12(19)14(7-10(15)16)8-11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyTZYNKEKATMHJLG-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.08
Rot. Bonds6

About 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 63645794) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID63645794
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CCCCO1)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H20N2O6/c1-13(6-9-4-2-3-5-20-9)12(19)14(7-10(15)16)8-11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyTZYNKEKATMHJLG-UHFFFAOYSA-N
XLogP0.08
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435932
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
N-methyl-N-(oxan-2-ylmethyl)prop-2-enamide
CID 61435743
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]propanoic acid
CID 61434067
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436490

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid (CID 63645794) is 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid is CN(CC1CCCCO1)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is TZYNKEKATMHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-13(6-9-4-2-3-5-20-9)12(19)14(7-10(15)16)8-11(17)18/h9H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63645794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).