[(2-hydroxycyclopentyl)-propylamino]methanetriol

C9H19NO4 — CID 166557710

IUPAC[(2-hydroxycyclopentyl)-propylamino]methanetriol
SMILESCCCN(C1CCCC1O)C(O)(O)O
InChIInChI=1S/C9H19NO4/c1-2-6-10(9(12,13)14)7-4-3-5-8(7)11/h7-8,11-14H,2-6H2,1H3
InChIKeyNCHALLYQSFAGEQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.80
Rot. Bonds4

About [(2-hydroxycyclopentyl)-propylamino]methanetriol

[(2-hydroxycyclopentyl)-propylamino]methanetriol (PubChem CID 166557710) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is [(2-hydroxycyclopentyl)-propylamino]methanetriol.

Molecular Properties

Compound Name[(2-hydroxycyclopentyl)-propylamino]methanetriol
PubChem CID166557710
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name[(2-hydroxycyclopentyl)-propylamino]methanetriol
SMILESCCCN(C1CCCC1O)C(O)(O)O
InChIInChI=1S/C9H19NO4/c1-2-6-10(9(12,13)14)7-4-3-5-8(7)11/h7-8,11-14H,2-6H2,1H3
InChIKeyNCHALLYQSFAGEQ-UHFFFAOYSA-N
XLogP-0.80
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-hydroxycyclopentyl)-propylamino]methanetriol?
The IUPAC name of [(2-hydroxycyclopentyl)-propylamino]methanetriol (CID 166557710) is [(2-hydroxycyclopentyl)-propylamino]methanetriol.
What is the SMILES notation for [(2-hydroxycyclopentyl)-propylamino]methanetriol?
The canonical SMILES for [(2-hydroxycyclopentyl)-propylamino]methanetriol is CCCN(C1CCCC1O)C(O)(O)O.
What is the InChIKey of [(2-hydroxycyclopentyl)-propylamino]methanetriol?
The InChIKey is NCHALLYQSFAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-2-6-10(9(12,13)14)7-4-3-5-8(7)11/h7-8,11-14H,2-6H2,1H3.
What are the key properties of [(2-hydroxycyclopentyl)-propylamino]methanetriol?
[(2-hydroxycyclopentyl)-propylamino]methanetriol has a molecular weight of 205.25 g/mol, XLogP of -0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxycyclopentyl)-propylamino]methanetriol is sourced from PubChem (CID 166557710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).