[(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate

C12H23NO4 — CID 169592073

IUPAC[(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate
SMILESCCCCC(=O)O[C@H](CC(=O)OCCC)CN
InChIInChI=1S/C12H23NO4/c1-3-5-6-11(14)17-10(9-13)8-12(15)16-7-4-2/h10H,3-9,13H2,1-2H3/t10-/m1/s1
InChIKeyXRTDQNARWQOWBY-SNVBAGLBSA-N
MW245.32 g/mol
LogP1.30
Rot. Bonds11

About [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate

[(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate (PubChem CID 169592073) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate.

Molecular Properties

Compound Name[(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate
PubChem CID169592073
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name[(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate
SMILESCCCCC(=O)O[C@H](CC(=O)OCCC)CN
InChIInChI=1S/C12H23NO4/c1-3-5-6-11(14)17-10(9-13)8-12(15)16-7-4-2/h10H,3-9,13H2,1-2H3/t10-/m1/s1
InChIKeyXRTDQNARWQOWBY-SNVBAGLBSA-N
XLogP1.30
TPSA78.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity231

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate?
The IUPAC name of [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate (CID 169592073) is [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate.
What is the SMILES notation for [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate?
The canonical SMILES for [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate is CCCCC(=O)O[C@H](CC(=O)OCCC)CN.
What is the InChIKey of [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate?
The InChIKey is XRTDQNARWQOWBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-5-6-11(14)17-10(9-13)8-12(15)16-7-4-2/h10H,3-9,13H2,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate?
[(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate has a molecular weight of 245.32 g/mol, XLogP of 1.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-4-oxo-4-propoxybutan-2-yl] pentanoate is sourced from PubChem (CID 169592073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).