3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol

C9H19NO3 — CID 106938227

IUPAC3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol
SMILESNC1(COCC(O)CO)CCCC1
InChIInChI=1S/C9H19NO3/c10-9(3-1-2-4-9)7-13-6-8(12)5-11/h8,11-12H,1-7,10H2
InChIKeyDRAXTURZWADMQP-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.37
Rot. Bonds5

About 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol

3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol (PubChem CID 106938227) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol
PubChem CID106938227
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol
SMILESNC1(COCC(O)CO)CCCC1
InChIInChI=1S/C9H19NO3/c10-9(3-1-2-4-9)7-13-6-8(12)5-11/h8,11-12H,1-7,10H2
InChIKeyDRAXTURZWADMQP-UHFFFAOYSA-N
XLogP-0.37
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol?
The IUPAC name of 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol (CID 106938227) is 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol.
What is the SMILES notation for 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol?
The canonical SMILES for 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol is NC1(COCC(O)CO)CCCC1.
What is the InChIKey of 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol?
The InChIKey is DRAXTURZWADMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c10-9(3-1-2-4-9)7-13-6-8(12)5-11/h8,11-12H,1-7,10H2.
What are the key properties of 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol?
3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopentyl)methoxy]propane-1,2-diol is sourced from PubChem (CID 106938227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).