3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one

C11H14N2O4 — CID 142137603

IUPAC3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one
SMILESNCC(O)CC(=O)n1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C11H14N2O4/c12-6-7(14)5-10(15)13-8-3-1-2-4-9(8)17-11(13)16/h3-4,7,14H,1-2,5-6,12H2
InChIKeyZZIPGNZYIMZBLR-UHFFFAOYSA-N
MW238.24 g/mol
LogP-1.85
Rot. Bonds3

About 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one

3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one (PubChem CID 142137603) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one
PubChem CID142137603
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one
SMILESNCC(O)CC(=O)n1c(=O)oc2c1=CCCC=2
InChIInChI=1S/C11H14N2O4/c12-6-7(14)5-10(15)13-8-3-1-2-4-9(8)17-11(13)16/h3-4,7,14H,1-2,5-6,12H2
InChIKeyZZIPGNZYIMZBLR-UHFFFAOYSA-N
XLogP-1.85
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one?
The IUPAC name of 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one (CID 142137603) is 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one is NCC(O)CC(=O)n1c(=O)oc2c1=CCCC=2.
What is the InChIKey of 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one?
The InChIKey is ZZIPGNZYIMZBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-6-7(14)5-10(15)13-8-3-1-2-4-9(8)17-11(13)16/h3-4,7,14H,1-2,5-6,12H2.
What are the key properties of 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one?
3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one has a molecular weight of 238.24 g/mol, XLogP of -1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-hydroxybutanoyl)-5,6-dihydro-1,3-benzoxazol-2-one is sourced from PubChem (CID 142137603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).