(2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide

C14H30N4O2S2 — CID 76684165

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@@H](N)CSSC[C@H](N)C(=O)N(CC)CC
InChIInChI=1S/C14H30N4O2S2/c1-5-17(6-2)13(19)11(15)9-21-22-10-12(16)14(20)18(7-3)8-4/h11-12H,5-10,15-16H2,1-4H3/t11-,12-/m0/s1
InChIKeyADJXKDFAUYOVAH-RYUDHWBXSA-N
MW350.55 g/mol
LogP0.76
Rot. Bonds11

About (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide

(2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide (PubChem CID 76684165) has the molecular formula C14H30N4O2S2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide
PubChem CID76684165
Molecular FormulaC14H30N4O2S2
Molecular Weight350.55 g/mol
Exact Mass350.18
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)[C@@H](N)CSSC[C@H](N)C(=O)N(CC)CC
InChIInChI=1S/C14H30N4O2S2/c1-5-17(6-2)13(19)11(15)9-21-22-10-12(16)14(20)18(7-3)8-4/h11-12H,5-10,15-16H2,1-4H3/t11-,12-/m0/s1
InChIKeyADJXKDFAUYOVAH-RYUDHWBXSA-N
XLogP0.76
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 50.76
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide (CID 76684165) is (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide is CCN(CC)C(=O)[C@@H](N)CSSC[C@H](N)C(=O)N(CC)CC.
What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide?
The InChIKey is ADJXKDFAUYOVAH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H30N4O2S2/c1-5-17(6-2)13(19)11(15)9-21-22-10-12(16)14(20)18(7-3)8-4/h11-12H,5-10,15-16H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide?
(2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide has a molecular weight of 350.55 g/mol, XLogP of 0.76, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide is sourced from PubChem (CID 76684165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).