2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid

C10H18N2O4S — CID 43238259

IUPAC2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCCNC(=O)CN(C)C(=O)CSCC(=O)O
InChIInChI=1S/C10H18N2O4S/c1-3-4-11-8(13)5-12(2)9(14)6-17-7-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyAOKIUBINGUOQQV-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.21
Rot. Bonds8

About 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid

2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 43238259) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID43238259
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
SMILESCCCNC(=O)CN(C)C(=O)CSCC(=O)O
InChIInChI=1S/C10H18N2O4S/c1-3-4-11-8(13)5-12(2)9(14)6-17-7-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyAOKIUBINGUOQQV-UHFFFAOYSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238288
2-methyl-2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81222629
2-[2-[methyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569016
2-[(2-amino-2-oxoethyl)-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetic acid
CID 107440194
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]-N-propylacetamide
CID 114626915
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79272997
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63065230
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914805
2-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569132
2-(3-aminoazetidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 65245071
phenyl N-methyl-N-[2-oxo-2-(propylamino)ethyl]carbamate
CID 60636579
2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 79525436

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid (CID 43238259) is 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid is CCCNC(=O)CN(C)C(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is AOKIUBINGUOQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-4-11-8(13)5-12(2)9(14)6-17-7-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 262.33 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 43238259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).