1-amino-4-prop-2-enoxybutane-2,3-diol

C7H15NO3 — CID 88937440

IUPAC1-amino-4-prop-2-enoxybutane-2,3-diol
SMILESC=CCOCC(O)C(O)CN
InChIInChI=1S/C7H15NO3/c1-2-3-11-5-7(10)6(9)4-8/h2,6-7,9-10H,1,3-5,8H2
InChIKeyGFTPJEGMPCRGMF-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.13
Rot. Bonds6

About 1-amino-4-prop-2-enoxybutane-2,3-diol

1-amino-4-prop-2-enoxybutane-2,3-diol (PubChem CID 88937440) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-amino-4-prop-2-enoxybutane-2,3-diol.

Molecular Properties

Compound Name1-amino-4-prop-2-enoxybutane-2,3-diol
PubChem CID88937440
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-amino-4-prop-2-enoxybutane-2,3-diol
SMILESC=CCOCC(O)C(O)CN
InChIInChI=1S/C7H15NO3/c1-2-3-11-5-7(10)6(9)4-8/h2,6-7,9-10H,1,3-5,8H2
InChIKeyGFTPJEGMPCRGMF-UHFFFAOYSA-N
XLogP-1.13
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-4-prop-2-enoxybutane-2,3-diol?
The IUPAC name of 1-amino-4-prop-2-enoxybutane-2,3-diol (CID 88937440) is 1-amino-4-prop-2-enoxybutane-2,3-diol.
What is the SMILES notation for 1-amino-4-prop-2-enoxybutane-2,3-diol?
The canonical SMILES for 1-amino-4-prop-2-enoxybutane-2,3-diol is C=CCOCC(O)C(O)CN.
What is the InChIKey of 1-amino-4-prop-2-enoxybutane-2,3-diol?
The InChIKey is GFTPJEGMPCRGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-11-5-7(10)6(9)4-8/h2,6-7,9-10H,1,3-5,8H2.
What are the key properties of 1-amino-4-prop-2-enoxybutane-2,3-diol?
1-amino-4-prop-2-enoxybutane-2,3-diol has a molecular weight of 161.20 g/mol, XLogP of -1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-prop-2-enoxybutane-2,3-diol is sourced from PubChem (CID 88937440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).