2-[methyl-(4-oxooxan-3-yl)amino]acetic acid

C8H13NO4 — CID 82405568

IUPAC2-[methyl-(4-oxooxan-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1COCCC1=O
InChIInChI=1S/C8H13NO4/c1-9(4-8(11)12)6-5-13-3-2-7(6)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyNGCQNAHKBIGKJI-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.64
Rot. Bonds3

About 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid

2-[methyl-(4-oxooxan-3-yl)amino]acetic acid (PubChem CID 82405568) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-oxooxan-3-yl)amino]acetic acid
PubChem CID82405568
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[methyl-(4-oxooxan-3-yl)amino]acetic acid
SMILESCN(CC(=O)O)C1COCCC1=O
InChIInChI=1S/C8H13NO4/c1-9(4-8(11)12)6-5-13-3-2-7(6)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyNGCQNAHKBIGKJI-UHFFFAOYSA-N
XLogP-0.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid (CID 82405568) is 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid is CN(CC(=O)O)C1COCCC1=O.
What is the InChIKey of 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid?
The InChIKey is NGCQNAHKBIGKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-9(4-8(11)12)6-5-13-3-2-7(6)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid?
2-[methyl-(4-oxooxan-3-yl)amino]acetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-oxooxan-3-yl)amino]acetic acid is sourced from PubChem (CID 82405568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).