2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide

C10H19N3O3S — CID 168915407

IUPAC2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
SMILESCC(C)CSCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C10H19N3O3S/c1-7(2)5-17-6-10(16)13-4-9(15)12-3-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyAPGJRYXBQIGSFA-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.91
Rot. Bonds8

About 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide

2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide (PubChem CID 168915407) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
PubChem CID168915407
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
SMILESCC(C)CSCC(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C10H19N3O3S/c1-7(2)5-17-6-10(16)13-4-9(15)12-3-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16)
InChIKeyAPGJRYXBQIGSFA-UHFFFAOYSA-N
XLogP-0.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 115573216
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
CID 174356714
(2S)-N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-(methylamino)-3-(2-methylprop-2-enylsulfanyl)propanamide
CID 165068951
N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide
CID 155110055
N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2-methylpropylsulfanyl)acetamide
CID 156547182
2-[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 115731527
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
ethane;2-[[2-(methylamino)acetyl]amino]acetamide
CID 168928174
2-(2-aminobutylsulfanyl)-N-(2-methylpropyl)acetamide
CID 66228725
(2S)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773461
(2R)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 61141834
(2S)-2-acetamido-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 11130860

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide (CID 168915407) is 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide is CC(C)CSCC(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide?
The InChIKey is APGJRYXBQIGSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(2)5-17-6-10(16)13-4-9(15)12-3-8(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)(H,13,16).
What are the key properties of 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide?
2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide has a molecular weight of 261.35 g/mol, XLogP of -0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 168915407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).