(4S,5R)-4-amino-5-propoxyoxolan-2-one

C7H13NO3 — CID 70334227

IUPAC(4S,5R)-4-amino-5-propoxyoxolan-2-one
SMILESCCCO[C@@H]1OC(=O)C[C@@H]1N
InChIInChI=1S/C7H13NO3/c1-2-3-10-7-5(8)4-6(9)11-7/h5,7H,2-4,8H2,1H3/t5-,7+/m0/s1
InChIKeyHOSXPKXUMAEFBN-CAHLUQPWSA-N
MW159.18 g/mol
LogP0.01
Rot. Bonds3

About (4S,5R)-4-amino-5-propoxyoxolan-2-one

(4S,5R)-4-amino-5-propoxyoxolan-2-one (PubChem CID 70334227) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (4S,5R)-4-amino-5-propoxyoxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-amino-5-propoxyoxolan-2-one
PubChem CID70334227
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(4S,5R)-4-amino-5-propoxyoxolan-2-one
SMILESCCCO[C@@H]1OC(=O)C[C@@H]1N
InChIInChI=1S/C7H13NO3/c1-2-3-10-7-5(8)4-6(9)11-7/h5,7H,2-4,8H2,1H3/t5-,7+/m0/s1
InChIKeyHOSXPKXUMAEFBN-CAHLUQPWSA-N
XLogP0.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-amino-5-propoxyoxolan-2-one?
The IUPAC name of (4S,5R)-4-amino-5-propoxyoxolan-2-one (CID 70334227) is (4S,5R)-4-amino-5-propoxyoxolan-2-one.
What is the SMILES notation for (4S,5R)-4-amino-5-propoxyoxolan-2-one?
The canonical SMILES for (4S,5R)-4-amino-5-propoxyoxolan-2-one is CCCO[C@@H]1OC(=O)C[C@@H]1N.
What is the InChIKey of (4S,5R)-4-amino-5-propoxyoxolan-2-one?
The InChIKey is HOSXPKXUMAEFBN-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-3-10-7-5(8)4-6(9)11-7/h5,7H,2-4,8H2,1H3/t5-,7+/m0/s1.
What are the key properties of (4S,5R)-4-amino-5-propoxyoxolan-2-one?
(4S,5R)-4-amino-5-propoxyoxolan-2-one has a molecular weight of 159.18 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-amino-5-propoxyoxolan-2-one is sourced from PubChem (CID 70334227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).