3,4-dihydroxy-4-phenylbutanamide

C10H13NO3 — CID 171898569

IUPAC3,4-dihydroxy-4-phenylbutanamide
SMILESNC(=O)CC(O)C(O)c1ccccc1
InChIInChI=1S/C10H13NO3/c11-9(13)6-8(12)10(14)7-4-2-1-3-5-7/h1-5,8,10,12,14H,6H2,(H2,11,13)
InChIKeyPSNARHIXZRTLCZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.04
Rot. Bonds4

About 3,4-dihydroxy-4-phenylbutanamide

3,4-dihydroxy-4-phenylbutanamide (PubChem CID 171898569) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3,4-dihydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-phenylbutanamide
PubChem CID171898569
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3,4-dihydroxy-4-phenylbutanamide
SMILESNC(=O)CC(O)C(O)c1ccccc1
InChIInChI=1S/C10H13NO3/c11-9(13)6-8(12)10(14)7-4-2-1-3-5-7/h1-5,8,10,12,14H,6H2,(H2,11,13)
InChIKeyPSNARHIXZRTLCZ-UHFFFAOYSA-N
XLogP-0.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
4-(4-amino-1,2-dihydroxy-4-oxobutyl)benzoic acid
CID 171899034
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
4-[4-(bromomethyl)phenyl]-3,4-dihydroxybutanamide
CID 171900239
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
2-[3-(4-amino-1,2-dihydroxy-4-oxobutyl)phenyl]acetic acid
CID 171899481
4-[4-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898697
1-[3-(4-amino-1,2-dihydroxy-4-oxobutyl)phenyl]cyclopropane-1-carboxylic acid
CID 171899979
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-N-methylbenzamide
CID 171899667
4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanamide
CID 171899571
4-(3-formylphenyl)-3,4-dihydroxybutanamide
CID 171898794
4-[3-(chloromethyl)phenyl]-3,4-dihydroxybutanamide
CID 171898699

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-phenylbutanamide?
The IUPAC name of 3,4-dihydroxy-4-phenylbutanamide (CID 171898569) is 3,4-dihydroxy-4-phenylbutanamide.
What is the SMILES notation for 3,4-dihydroxy-4-phenylbutanamide?
The canonical SMILES for 3,4-dihydroxy-4-phenylbutanamide is NC(=O)CC(O)C(O)c1ccccc1.
What is the InChIKey of 3,4-dihydroxy-4-phenylbutanamide?
The InChIKey is PSNARHIXZRTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-9(13)6-8(12)10(14)7-4-2-1-3-5-7/h1-5,8,10,12,14H,6H2,(H2,11,13).
What are the key properties of 3,4-dihydroxy-4-phenylbutanamide?
3,4-dihydroxy-4-phenylbutanamide has a molecular weight of 195.22 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-phenylbutanamide is sourced from PubChem (CID 171898569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).