(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one

C14H26N4O4S2 — CID 76684249

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESN[C@@H](CSSC[C@H](N)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4S2/c15-11(13(19)17-1-5-21-6-2-17)9-23-24-10-12(16)14(20)18-3-7-22-8-4-18/h11-12H,1-10,15-16H2/t11-,12-/m0/s1
InChIKeyCUKFDDYSJJRXQH-RYUDHWBXSA-N
MW378.52 g/mol
LogP-1.26
Rot. Bonds7

About (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one

(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 76684249) has the molecular formula C14H26N4O4S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID76684249
Molecular FormulaC14H26N4O4S2
Molecular Weight378.52 g/mol
Exact Mass378.14
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESN[C@@H](CSSC[C@H](N)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4S2/c15-11(13(19)17-1-5-21-6-2-17)9-23-24-10-12(16)14(20)18-3-7-22-8-4-18/h11-12H,1-10,15-16H2/t11-,12-/m0/s1
InChIKeyCUKFDDYSJJRXQH-RYUDHWBXSA-N
XLogP-1.26
TPSA111.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one (CID 76684249) is (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one is N[C@@H](CSSC[C@H](N)C(=O)N1CCOCC1)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is CUKFDDYSJJRXQH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26N4O4S2/c15-11(13(19)17-1-5-21-6-2-17)9-23-24-10-12(16)14(20)18-3-7-22-8-4-18/h11-12H,1-10,15-16H2/t11-,12-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one?
(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 378.52 g/mol, XLogP of -1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 76684249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).