2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid

C10H18N2O3S — CID 61198741

IUPAC2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)C1CCSC1
InChIInChI=1S/C10H18N2O3S/c1-3-12(6-9(13)14)10(15)11(2)8-4-5-16-7-8/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyZUSNBAGHWQXFJV-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.95
Rot. Bonds4

About 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid

2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid (PubChem CID 61198741) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
PubChem CID61198741
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(C)C1CCSC1
InChIInChI=1S/C10H18N2O3S/c1-3-12(6-9(13)14)10(15)11(2)8-4-5-16-7-8/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyZUSNBAGHWQXFJV-UHFFFAOYSA-N
XLogP0.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid (CID 61198741) is 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N(C)C1CCSC1.
What is the InChIKey of 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
The InChIKey is ZUSNBAGHWQXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-12(6-9(13)14)10(15)11(2)8-4-5-16-7-8/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid?
2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid has a molecular weight of 246.33 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl(thiolan-3-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61198741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).