2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid

C8H15NO3S — CID 104569016

IUPAC2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCCN(C)C(=O)CSCC(=O)O
InChIInChI=1S/C8H15NO3S/c1-3-4-9(2)7(10)5-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyRLFVNXTYDIZLQD-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.67
Rot. Bonds6

About 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569016) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104569016
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCCN(C)C(=O)CSCC(=O)O
InChIInChI=1S/C8H15NO3S/c1-3-4-9(2)7(10)5-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyRLFVNXTYDIZLQD-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl-[3-(methylamino)propyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104570155
2-[2-[3-methoxypropyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569893
3-[methyl-(2-propylsulfanylacetyl)amino]propanoic acid
CID 115731280
2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569015
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
2-[(2-butylsulfanylacetyl)-methylamino]acetic acid
CID 43356278
N-methyl-N-propyl-3-propylsulfanylpropanamide
CID 88902574
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569767
(2R)-2-hydroxy-N-methyl-N-propylpropanamide
CID 130891820
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 104569016) is 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid is CCCN(C)C(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is RLFVNXTYDIZLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-3-4-9(2)7(10)5-13-6-8(11)12/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 205.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).