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

C14H28Cl2N4O4S2 — CID 155549993

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.N[C@@H](CSSC[C@H](N)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4S2.2ClH/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;2*1H/t11-,12-;;/m0../s1
InChIKeyFBBIEGYHLPKJBR-AQEKLAMFSA-N
MW451.44 g/mol
LogP-0.42
Rot. Bonds7

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

(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride (PubChem CID 155549993) has the molecular formula C14H28Cl2N4O4S2 and a molecular weight of 451.44 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;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride
PubChem CID155549993
Molecular FormulaC14H28Cl2N4O4S2
Molecular Weight451.44 g/mol
Exact Mass450.09
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.N[C@@H](CSSC[C@H](N)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4S2.2ClH/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;2*1H/t11-,12-;;/m0../s1
InChIKeyFBBIEGYHLPKJBR-AQEKLAMFSA-N
XLogP-0.42
TPSA111.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 5-0.42
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;dihydrochloride?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride (CID 155549993) is (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride.
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;dihydrochloride?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is FBBIEGYHLPKJBR-AQEKLAMFSA-N. The full InChI is InChI=1S/C14H26N4O4S2.2ClH/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;2*1H/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;dihydrochloride?
(2R)-2-amino-3-[[(2R)-2-amino-3-morpholin-4-yl-3-oxopropyl]disulfanyl]-1-morpholin-4-ylpropan-1-one;dihydrochloride has a molecular weight of 451.44 g/mol, XLogP of -0.42, 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;dihydrochloride is sourced from PubChem (CID 155549993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).