N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide

C11H20N2O4S — CID 79682428

IUPACN-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSCC(O)CO
InChIInChI=1S/C11H20N2O4S/c1-13(4-10(16)12-8-2-3-8)11(17)7-18-6-9(15)5-14/h8-9,14-15H,2-7H2,1H3,(H,12,16)
InChIKeyMAXDDZGTHMUEOZ-UHFFFAOYSA-N
MW276.36 g/mol
LogP-1.19
Rot. Bonds8

About N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide (PubChem CID 79682428) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide
PubChem CID79682428
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSCC(O)CO
InChIInChI=1S/C11H20N2O4S/c1-13(4-10(16)12-8-2-3-8)11(17)7-18-6-9(15)5-14/h8-9,14-15H,2-7H2,1H3,(H,12,16)
InChIKeyMAXDDZGTHMUEOZ-UHFFFAOYSA-N
XLogP-1.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142278
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
CID 112695476
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77061118
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 76893534
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8601346
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-piperazin-1-ylacetamide
CID 43162383
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 104590665

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide (CID 79682428) is N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide is CN(CC(=O)NC1CC1)C(=O)CSCC(O)CO.
What is the InChIKey of N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide?
The InChIKey is MAXDDZGTHMUEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-13(4-10(16)12-8-2-3-8)11(17)7-18-6-9(15)5-14/h8-9,14-15H,2-7H2,1H3,(H,12,16).
What are the key properties of N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide has a molecular weight of 276.36 g/mol, XLogP of -1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide is sourced from PubChem (CID 79682428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).