2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide

C10H12N2O4 — CID 171869290

IUPAC2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
SMILESNC(=O)c1ccccc1C(O)C(O)C(N)=O
InChIInChI=1S/C10H12N2O4/c11-9(15)6-4-2-1-3-5(6)7(13)8(14)10(12)16/h1-4,7-8,13-14H,(H2,11,15)(H2,12,16)
InChIKeyDVFIYZHQMWIXLS-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.33
Rot. Bonds4

About 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide

2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide (PubChem CID 171869290) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide.

Molecular Properties

Compound Name2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
PubChem CID171869290
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
SMILESNC(=O)c1ccccc1C(O)C(O)C(N)=O
InChIInChI=1S/C10H12N2O4/c11-9(15)6-4-2-1-3-5(6)7(13)8(14)10(12)16/h1-4,7-8,13-14H,(H2,11,15)(H2,12,16)
InChIKeyDVFIYZHQMWIXLS-UHFFFAOYSA-N
XLogP-1.33
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171867891
2-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171882384
2-(4-chloro-1,2-dihydroxybutyl)benzamide
CID 171894927
3-[2-(bromomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869229
3-[2-(difluoromethoxy)phenyl]-2,3-dihydroxypropanamide
CID 171868513
2-[(1R)-1-hydroxy-2-phenylethyl]benzamide
CID 91365302
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
2-[bromo(phenyl)methyl]benzamide
CID 175221886
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
2-[chloro(methoxy)methyl]benzamide
CID 68766878

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide?
The IUPAC name of 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide (CID 171869290) is 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide.
What is the SMILES notation for 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide?
The canonical SMILES for 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide is NC(=O)c1ccccc1C(O)C(O)C(N)=O.
What is the InChIKey of 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide?
The InChIKey is DVFIYZHQMWIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-9(15)6-4-2-1-3-5(6)7(13)8(14)10(12)16/h1-4,7-8,13-14H,(H2,11,15)(H2,12,16).
What are the key properties of 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide?
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide has a molecular weight of 224.22 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide is sourced from PubChem (CID 171869290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).