1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol

C10H25N3O4 — CID 88895259

IUPAC1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol
SMILESNCC(O)CC(O)CNC[C@H](O)CC(O)CN
InChIInChI=1S/C10H25N3O4/c11-3-7(14)1-9(16)5-13-6-10(17)2-8(15)4-12/h7-10,13-17H,1-6,11-12H2/t7?,8?,9-,10?/m1/s1
InChIKeyCVHXLYVSUFLGEI-OWTMBLHMSA-N
MW251.33 g/mol
LogP-3.28
Rot. Bonds10

About 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol

1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol (PubChem CID 88895259) has the molecular formula C10H25N3O4 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol.

Molecular Properties

Compound Name1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol
PubChem CID88895259
Molecular FormulaC10H25N3O4
Molecular Weight251.33 g/mol
Exact Mass251.18
IUPAC Name1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol
SMILESNCC(O)CC(O)CNC[C@H](O)CC(O)CN
InChIInChI=1S/C10H25N3O4/c11-3-7(14)1-9(16)5-13-6-10(17)2-8(15)4-12/h7-10,13-17H,1-6,11-12H2/t7?,8?,9-,10?/m1/s1
InChIKeyCVHXLYVSUFLGEI-OWTMBLHMSA-N
XLogP-3.28
TPSA144.99 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.33
LogP ≤ 5-3.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol?
The IUPAC name of 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol (CID 88895259) is 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol.
What is the SMILES notation for 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol?
The canonical SMILES for 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol is NCC(O)CC(O)CNC[C@H](O)CC(O)CN.
What is the InChIKey of 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol?
The InChIKey is CVHXLYVSUFLGEI-OWTMBLHMSA-N. The full InChI is InChI=1S/C10H25N3O4/c11-3-7(14)1-9(16)5-13-6-10(17)2-8(15)4-12/h7-10,13-17H,1-6,11-12H2/t7?,8?,9-,10?/m1/s1.
What are the key properties of 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol?
1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol has a molecular weight of 251.33 g/mol, XLogP of -3.28, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-[[(2R)-5-amino-2,4-dihydroxypentyl]amino]pentane-2,4-diol is sourced from PubChem (CID 88895259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).