2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid

C12H21N3O5 — CID 107438771

IUPAC2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CCCOC1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-14(5-9-3-2-4-20-8-9)12(19)15(6-10(13)16)7-11(17)18/h9H,2-8H2,1H3,(H2,13,16)(H,17,18)
InChIKeyLQMUACFPQGCYPE-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.66
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid (PubChem CID 107438771) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
PubChem CID107438771
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
SMILESCN(CC1CCCOC1)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-14(5-9-3-2-4-20-8-9)12(19)15(6-10(13)16)7-11(17)18/h9H,2-8H2,1H3,(H2,13,16)(H,17,18)
InChIKeyLQMUACFPQGCYPE-UHFFFAOYSA-N
XLogP-0.66
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid (CID 107438771) is 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid is CN(CC1CCCOC1)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
The InChIKey is LQMUACFPQGCYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-14(5-9-3-2-4-20-8-9)12(19)15(6-10(13)16)7-11(17)18/h9H,2-8H2,1H3,(H2,13,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.66, 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)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).