2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid

C10H16N2O3S — CID 82916144

IUPAC2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C1CSCCN1
InChIInChI=1S/C10H16N2O3S/c1-2-4-12(6-9(13)14)10(15)8-7-16-5-3-11-8/h2,8,11H,1,3-7H2,(H,13,14)
InChIKeyKTNBFFOVDULKAE-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.21
Rot. Bonds5

About 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid

2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid (PubChem CID 82916144) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
PubChem CID82916144
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)C1CSCCN1
InChIInChI=1S/C10H16N2O3S/c1-2-4-12(6-9(13)14)10(15)8-7-16-5-3-11-8/h2,8,11H,1,3-7H2,(H,13,14)
InChIKeyKTNBFFOVDULKAE-UHFFFAOYSA-N
XLogP-0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid (CID 82916144) is 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)C1CSCCN1.
What is the InChIKey of 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid?
The InChIKey is KTNBFFOVDULKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-4-12(6-9(13)14)10(15)8-7-16-5-3-11-8/h2,8,11H,1,3-7H2,(H,13,14).
What are the key properties of 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid?
2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid has a molecular weight of 244.32 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 82916144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).