2-amino-1-(cyclopenten-1-yl)propane-1,3-diol

C8H15NO2 — CID 23088328

IUPAC2-amino-1-(cyclopenten-1-yl)propane-1,3-diol
SMILESNC(CO)C(O)C1=CCCC1
InChIInChI=1S/C8H15NO2/c9-7(5-10)8(11)6-3-1-2-4-6/h3,7-8,10-11H,1-2,4-5,9H2
InChIKeyPZPOKHAWHPJPEI-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.22
Rot. Bonds3

About 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol

2-amino-1-(cyclopenten-1-yl)propane-1,3-diol (PubChem CID 23088328) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(cyclopenten-1-yl)propane-1,3-diol
PubChem CID23088328
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-amino-1-(cyclopenten-1-yl)propane-1,3-diol
SMILESNC(CO)C(O)C1=CCCC1
InChIInChI=1S/C8H15NO2/c9-7(5-10)8(11)6-3-1-2-4-6/h3,7-8,10-11H,1-2,4-5,9H2
InChIKeyPZPOKHAWHPJPEI-UHFFFAOYSA-N
XLogP-0.22
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol (CID 23088328) is 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol is NC(CO)C(O)C1=CCCC1.
What is the InChIKey of 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol?
The InChIKey is PZPOKHAWHPJPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-7(5-10)8(11)6-3-1-2-4-6/h3,7-8,10-11H,1-2,4-5,9H2.
What are the key properties of 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol?
2-amino-1-(cyclopenten-1-yl)propane-1,3-diol has a molecular weight of 157.21 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclopenten-1-yl)propane-1,3-diol is sourced from PubChem (CID 23088328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).