(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol

C5H13NO5 — CID 139898597

IUPAC(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
SMILESNC(O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C5H13NO5/c6-5(11)4(10)3(9)2(8)1-7/h2-5,7-11H,1,6H2/t2-,3+,4+,5?/m1/s1
InChIKeyRHMZEZFUUWYJOV-AGQMPKSLSA-N
MW167.16 g/mol
LogP-3.66
Rot. Bonds4

About (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol

(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol (PubChem CID 139898597) has the molecular formula C5H13NO5 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
PubChem CID139898597
Molecular FormulaC5H13NO5
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
SMILESNC(O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C5H13NO5/c6-5(11)4(10)3(9)2(8)1-7/h2-5,7-11H,1,6H2/t2-,3+,4+,5?/m1/s1
InChIKeyRHMZEZFUUWYJOV-AGQMPKSLSA-N
XLogP-3.66
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500167.16
LogP ≤ 5-3.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R,5R)-1-aminohexane-1,2,3,4,5,6-hexol
CID 139898603
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
CID 158428296
CID 158428296
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;methane
CID 159810925
heptane-1,2,3,4,5,6,7-heptol;hydroiodide
CID 126649290

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol?
The IUPAC name of (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol (CID 139898597) is (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol is NC(O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol?
The InChIKey is RHMZEZFUUWYJOV-AGQMPKSLSA-N. The full InChI is InChI=1S/C5H13NO5/c6-5(11)4(10)3(9)2(8)1-7/h2-5,7-11H,1,6H2/t2-,3+,4+,5?/m1/s1.
What are the key properties of (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol?
(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol has a molecular weight of 167.16 g/mol, XLogP of -3.66, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol is sourced from PubChem (CID 139898597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).