2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide

C11H23N3O2S2 — CID 162257220

IUPAC2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide
SMILESCC(N)C(=O)CCCSSCCNC(=O)C(C)N
InChIInChI=1S/C11H23N3O2S2/c1-8(12)10(15)4-3-6-17-18-7-5-14-11(16)9(2)13/h8-9H,3-7,12-13H2,1-2H3,(H,14,16)
InChIKeyZYTGFOFQCPVKCT-UHFFFAOYSA-N
MW293.46 g/mol
LogP0.53
Rot. Bonds10

About 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide

2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide (PubChem CID 162257220) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide
PubChem CID162257220
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide
SMILESCC(N)C(=O)CCCSSCCNC(=O)C(C)N
InChIInChI=1S/C11H23N3O2S2/c1-8(12)10(15)4-3-6-17-18-7-5-14-11(16)9(2)13/h8-9H,3-7,12-13H2,1-2H3,(H,14,16)
InChIKeyZYTGFOFQCPVKCT-UHFFFAOYSA-N
XLogP0.53
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 18631474
2-amino-N-(9-amino-8-oxodecyl)propanamide
CID 159969834
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-N-(2-acetamidoethylsulfanylmethyl)-2-aminopropanamide
CID 167237972
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
[8-[2-[[8-[2-[(2-amino-5-azaniumylpentanoyl)amino]ethyldisulfanyl]-2-methyl-5-oxooctanoyl]amino]ethyldisulfanyl]-1-azaniumyl-5-oxooctan-4-yl]azanium
CID 58052089
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241
2-amino-N-propylpropanamide;ethane
CID 142837247
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide (CID 162257220) is 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide is CC(N)C(=O)CCCSSCCNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide?
The InChIKey is ZYTGFOFQCPVKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-8(12)10(15)4-3-6-17-18-7-5-14-11(16)9(2)13/h8-9H,3-7,12-13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide?
2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide has a molecular weight of 293.46 g/mol, XLogP of 0.53, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(5-amino-4-oxohexyl)disulfanyl]ethyl]propanamide is sourced from PubChem (CID 162257220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).