3-aminopentane-1,1,1,2,2-pentol

C5H13NO5 — CID 90384532

IUPAC3-aminopentane-1,1,1,2,2-pentol
SMILESCCC(N)C(O)(O)C(O)(O)O
InChIInChI=1S/C5H13NO5/c1-2-3(6)4(7,8)5(9,10)11/h3,7-11H,2,6H2,1H3
InChIKeyICRDBUINZMWMRW-UHFFFAOYSA-N
MW167.16 g/mol
LogP-2.96
Rot. Bonds3

About 3-aminopentane-1,1,1,2,2-pentol

3-aminopentane-1,1,1,2,2-pentol (PubChem CID 90384532) has the molecular formula C5H13NO5 and a molecular weight of 167.16 g/mol. Its IUPAC name is 3-aminopentane-1,1,1,2,2-pentol.

Molecular Properties

Compound Name3-aminopentane-1,1,1,2,2-pentol
PubChem CID90384532
Molecular FormulaC5H13NO5
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name3-aminopentane-1,1,1,2,2-pentol
SMILESCCC(N)C(O)(O)C(O)(O)O
InChIInChI=1S/C5H13NO5/c1-2-3(6)4(7,8)5(9,10)11/h3,7-11H,2,6H2,1H3
InChIKeyICRDBUINZMWMRW-UHFFFAOYSA-N
XLogP-2.96
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500167.16
LogP ≤ 5-2.96
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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Frequently Asked Questions

What is the IUPAC name of 3-aminopentane-1,1,1,2,2-pentol?
The IUPAC name of 3-aminopentane-1,1,1,2,2-pentol (CID 90384532) is 3-aminopentane-1,1,1,2,2-pentol.
What is the SMILES notation for 3-aminopentane-1,1,1,2,2-pentol?
The canonical SMILES for 3-aminopentane-1,1,1,2,2-pentol is CCC(N)C(O)(O)C(O)(O)O.
What is the InChIKey of 3-aminopentane-1,1,1,2,2-pentol?
The InChIKey is ICRDBUINZMWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO5/c1-2-3(6)4(7,8)5(9,10)11/h3,7-11H,2,6H2,1H3.
What are the key properties of 3-aminopentane-1,1,1,2,2-pentol?
3-aminopentane-1,1,1,2,2-pentol has a molecular weight of 167.16 g/mol, XLogP of -2.96, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopentane-1,1,1,2,2-pentol is sourced from PubChem (CID 90384532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).