1-amino-3-prop-2-enoxypropane-1,2-diol

C6H13NO3 — CID 90798188

IUPAC1-amino-3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOCC(O)C(N)O
InChIInChI=1S/C6H13NO3/c1-2-3-10-4-5(8)6(7)9/h2,5-6,8-9H,1,3-4,7H2
InChIKeyKQGJMWZXGBZAGK-UHFFFAOYSA-N
MW147.17 g/mol
LogP-1.17
Rot. Bonds5

About 1-amino-3-prop-2-enoxypropane-1,2-diol

1-amino-3-prop-2-enoxypropane-1,2-diol (PubChem CID 90798188) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-amino-3-prop-2-enoxypropane-1,2-diol.

Molecular Properties

Compound Name1-amino-3-prop-2-enoxypropane-1,2-diol
PubChem CID90798188
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-amino-3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOCC(O)C(N)O
InChIInChI=1S/C6H13NO3/c1-2-3-10-4-5(8)6(7)9/h2,5-6,8-9H,1,3-4,7H2
InChIKeyKQGJMWZXGBZAGK-UHFFFAOYSA-N
XLogP-1.17
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-prop-2-enoxypropane-1,2-diol?
The IUPAC name of 1-amino-3-prop-2-enoxypropane-1,2-diol (CID 90798188) is 1-amino-3-prop-2-enoxypropane-1,2-diol.
What is the SMILES notation for 1-amino-3-prop-2-enoxypropane-1,2-diol?
The canonical SMILES for 1-amino-3-prop-2-enoxypropane-1,2-diol is C=CCOCC(O)C(N)O.
What is the InChIKey of 1-amino-3-prop-2-enoxypropane-1,2-diol?
The InChIKey is KQGJMWZXGBZAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-3-10-4-5(8)6(7)9/h2,5-6,8-9H,1,3-4,7H2.
What are the key properties of 1-amino-3-prop-2-enoxypropane-1,2-diol?
1-amino-3-prop-2-enoxypropane-1,2-diol has a molecular weight of 147.17 g/mol, XLogP of -1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-prop-2-enoxypropane-1,2-diol is sourced from PubChem (CID 90798188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).