4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide

C13H17NO5 — CID 171899906

IUPAC4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H17NO5/c14-11(16)7-10(15)12(17)8-1-3-9(4-2-8)13-18-5-6-19-13/h1-4,10,12-13,15,17H,5-7H2,(H2,14,16)
InChIKeyZULIYSKRRRILKE-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.00
Rot. Bonds5

About 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide

4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide (PubChem CID 171899906) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide
PubChem CID171899906
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H17NO5/c14-11(16)7-10(15)12(17)8-1-3-9(4-2-8)13-18-5-6-19-13/h1-4,10,12-13,15,17H,5-7H2,(H2,14,16)
InChIKeyZULIYSKRRRILKE-UHFFFAOYSA-N
XLogP0.00
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697
9H-fluoren-9-ylmethyl N-[3-[4-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834905
4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
CID 171899571
3,4-dihydroxy-4-(4-piperazin-1-ylphenyl)butanamide
CID 171899991
bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol
CID 139917472
3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
CID 171900236
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
2-[4-(4-amino-1,2-dihydroxy-4-oxobutyl)phenoxy]acetic acid
CID 171899789

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide?
The IUPAC name of 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide (CID 171899906) is 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide?
The canonical SMILES for 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(C2OCCO2)cc1.
What is the InChIKey of 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide?
The InChIKey is ZULIYSKRRRILKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c14-11(16)7-10(15)12(17)8-1-3-9(4-2-8)13-18-5-6-19-13/h1-4,10,12-13,15,17H,5-7H2,(H2,14,16).
What are the key properties of 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide?
4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide has a molecular weight of 267.28 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-dioxolan-2-yl)phenyl]-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).