2-(ethylsulfinylamino)acetic acid

C4H9NO3S — CID 45082017

IUPAC2-(ethylsulfinylamino)acetic acid
SMILESCCS(=O)NCC(=O)O
InChIInChI=1S/C4H9NO3S/c1-2-9(8)5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyBDIWFKVPCCVSGV-UHFFFAOYSA-N
MW151.19 g/mol
LogP-0.66
Rot. Bonds4

About 2-(ethylsulfinylamino)acetic acid

2-(ethylsulfinylamino)acetic acid (PubChem CID 45082017) has the molecular formula C4H9NO3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-(ethylsulfinylamino)acetic acid.

Molecular Properties

Compound Name2-(ethylsulfinylamino)acetic acid
PubChem CID45082017
Molecular FormulaC4H9NO3S
Molecular Weight151.19 g/mol
Exact Mass151.03
IUPAC Name2-(ethylsulfinylamino)acetic acid
SMILESCCS(=O)NCC(=O)O
InChIInChI=1S/C4H9NO3S/c1-2-9(8)5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKeyBDIWFKVPCCVSGV-UHFFFAOYSA-N
XLogP-0.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfinylamino)acetic acid?
The IUPAC name of 2-(ethylsulfinylamino)acetic acid (CID 45082017) is 2-(ethylsulfinylamino)acetic acid.
What is the SMILES notation for 2-(ethylsulfinylamino)acetic acid?
The canonical SMILES for 2-(ethylsulfinylamino)acetic acid is CCS(=O)NCC(=O)O.
What is the InChIKey of 2-(ethylsulfinylamino)acetic acid?
The InChIKey is BDIWFKVPCCVSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S/c1-2-9(8)5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-(ethylsulfinylamino)acetic acid?
2-(ethylsulfinylamino)acetic acid has a molecular weight of 151.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfinylamino)acetic acid is sourced from PubChem (CID 45082017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).