2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate

C16H30N4O5S — CID 59718267

IUPAC2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCNC(=O)NCCSCC(C)C(=O)NCC(N)=O
InChIInChI=1S/C16H30N4O5S/c1-4-11(2)15(23)25-7-5-18-16(24)19-6-8-26-10-12(3)14(22)20-9-13(17)21/h11-12H,4-10H2,1-3H3,(H2,17,21)(H,20,22)(H2,18,19,24)
InChIKeyJTVIZCASMWGYBW-UHFFFAOYSA-N
MW390.51 g/mol
LogP-0.15
Rot. Bonds13

About 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate

2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate (PubChem CID 59718267) has the molecular formula C16H30N4O5S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate
PubChem CID59718267
Molecular FormulaC16H30N4O5S
Molecular Weight390.51 g/mol
Exact Mass390.19
IUPAC Name2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCNC(=O)NCCSCC(C)C(=O)NCC(N)=O
InChIInChI=1S/C16H30N4O5S/c1-4-11(2)15(23)25-7-5-18-16(24)19-6-8-26-10-12(3)14(22)20-9-13(17)21/h11-12H,4-10H2,1-3H3,(H2,17,21)(H,20,22)(H2,18,19,24)
InChIKeyJTVIZCASMWGYBW-UHFFFAOYSA-N
XLogP-0.15
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethoxymethoxy]ethyl 2-methylbutanoate
CID 59718250
2-[2-[3-[bis(2-hydroxyethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate
CID 59861011
4-amino-N-(2-amino-2-oxoethyl)-2-methylbutanamide
CID 80541244
N-(2-amino-2-oxoethyl)-3-(2-amino-2-oxoethyl)sulfanyl-2-[2-(diaminomethylidene)hydrazinyl]propanamide
CID 146243540
propan-2-yl 3-[2-(2-methylbutanoylamino)ethylsulfanyl]-3-oxopropanoate
CID 129026244
2-(ethylcarbamoylamino)ethyl 2-methylpropanoate
CID 71876541
2-[2-(2-oxopropanoyloxy)ethylcarbamoyloxy]ethyl 2-methylbutanoate
CID 59137886
2-[3-[methyl(diphenoxy)silyl]propylcarbamoylamino]ethyl 2-methylbutanoate
CID 59439700
propyl (2R)-2-methylbutanoate
CID 86306230
bis(butan-2-yl(trimethoxy)silane);(2-hydroxy-5,5-dimethylheptyl) 3-[3-(dimethylamino)-2-methyl-3-oxopropyl]sulfanylpropanoate;(2-hydroxy-5,5-dimethylheptyl) 3-[2-methyl-3-oxo-3-(propan-2-ylamino)propyl]sulfanylpropanoate;(2-hydroxy-5-methylheptyl) 3-(3-amino-2-methyl-3-oxopropyl)sulfanylpropanoate;(2-hydroxy-5-methylheptyl) 3-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylpropanoate;(2-hydroxy-5-methylheptyl) 3-[3-[bis(2-hydroxyethyl)amino]-2-methyl-3-oxopropyl]sulfanylpropanoate;2-(2-methylbutanoylamino)ethyl N-(3-triethoxysilylpropyl)carbamate;2-methyl-3-[2-(4-methylhexylcarbamoylamino)ethylsulfanyl]propanamide;tris(2-methyl-N-(3-triethoxysilylpropyl)butanamide)
CID 161034594
2-(butylcarbamoylamino)ethyl 2-methylpropanoate
CID 176996769
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate?
The IUPAC name of 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate (CID 59718267) is 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate.
What is the SMILES notation for 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate?
The canonical SMILES for 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate is CCC(C)C(=O)OCCNC(=O)NCCSCC(C)C(=O)NCC(N)=O.
What is the InChIKey of 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate?
The InChIKey is JTVIZCASMWGYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O5S/c1-4-11(2)15(23)25-7-5-18-16(24)19-6-8-26-10-12(3)14(22)20-9-13(17)21/h11-12H,4-10H2,1-3H3,(H2,17,21)(H,20,22)(H2,18,19,24).
What are the key properties of 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate?
2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate has a molecular weight of 390.51 g/mol, XLogP of -0.15, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2-amino-2-oxoethyl)amino]-2-methyl-3-oxopropyl]sulfanylethylcarbamoylamino]ethyl 2-methylbutanoate is sourced from PubChem (CID 59718267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).