3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid

C10H11NO6 — CID 171868523

IUPAC3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
SMILESNC(=O)C(O)C(O)c1cc(C(=O)O)ccc1O
InChIInChI=1S/C10H11NO6/c11-9(15)8(14)7(13)5-3-4(10(16)17)1-2-6(5)12/h1-3,7-8,12-14H,(H2,11,15)(H,16,17)
InChIKeyAKGBFMFYTHDLHM-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.03
Rot. Bonds4

About 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid

3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid (PubChem CID 171868523) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
PubChem CID171868523
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid
SMILESNC(=O)C(O)C(O)c1cc(C(=O)O)ccc1O
InChIInChI=1S/C10H11NO6/c11-9(15)8(14)7(13)5-3-4(10(16)17)1-2-6(5)12/h1-3,7-8,12-14H,(H2,11,15)(H,16,17)
InChIKeyAKGBFMFYTHDLHM-UHFFFAOYSA-N
XLogP-1.03
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-chlorobenzoic acid
CID 171868426
3-(3-amino-1,2-dihydroxypropyl)-4-hydroxybenzoic acid
CID 170828381
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
4-hydroxy-3-(1,2,3-trihydroxypropyl)benzoic acid
CID 170818202
3-[(S)-amino(carboxy)methyl]-4-hydroxybenzoic acid
CID 66512316
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzoic acid
CID 55276793
3,4-dihydroxybenzoic acid;2,3-dihydroxybutanedioic acid
CID 159794787
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-3-hydroxybenzoic acid
CID 171866460
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
4-hydroxy-3-(1-hydroxypentyl)benzoic acid
CID 10466191
2-(dihydroxymethyl)terephthalic acid
CID 5246334
3-amino-4-hydroxybenzoic acid
CID 161134080

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid?
The IUPAC name of 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid (CID 171868523) is 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid.
What is the SMILES notation for 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid?
The canonical SMILES for 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid is NC(=O)C(O)C(O)c1cc(C(=O)O)ccc1O.
What is the InChIKey of 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid?
The InChIKey is AKGBFMFYTHDLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c11-9(15)8(14)7(13)5-3-4(10(16)17)1-2-6(5)12/h1-3,7-8,12-14H,(H2,11,15)(H,16,17).
What are the key properties of 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid?
3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.03, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-1,2-dihydroxy-3-oxopropyl)-4-hydroxybenzoic acid is sourced from PubChem (CID 171868523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).