N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide

C10H13NO5 — CID 114344939

IUPACN-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
SMILESO=C(NCC(O)CO)c1cccc(O)c1O
InChIInChI=1S/C10H13NO5/c12-5-6(13)4-11-10(16)7-2-1-3-8(14)9(7)15/h1-3,6,12-15H,4-5H2,(H,11,16)
InChIKeyPBWSEOOGOBCNSC-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.82
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide

N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide (PubChem CID 114344939) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
PubChem CID114344939
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC NameN-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
SMILESO=C(NCC(O)CO)c1cccc(O)c1O
InChIInChI=1S/C10H13NO5/c12-5-6(13)4-11-10(16)7-2-1-3-8(14)9(7)15/h1-3,6,12-15H,4-5H2,(H,11,16)
InChIKeyPBWSEOOGOBCNSC-UHFFFAOYSA-N
XLogP-0.82
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid
CID 66178018
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
N-(2-fluoroethyl)-2,3-dihydroxybenzamide
CID 130478170
2-[(2,3-dihydroxybenzoyl)amino]-3-hydroxypropanoic acid
CID 656417
N-(2,3-dihydroxypropyl)-1H-pyrrole-2-carboxamide
CID 66177691
N-(4-chloro-2-ethylbutyl)-2,3-dihydroxybenzamide
CID 114345290
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide (CID 114344939) is N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide is O=C(NCC(O)CO)c1cccc(O)c1O.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide?
The InChIKey is PBWSEOOGOBCNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c12-5-6(13)4-11-10(16)7-2-1-3-8(14)9(7)15/h1-3,6,12-15H,4-5H2,(H,11,16).
What are the key properties of N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide?
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide has a molecular weight of 227.22 g/mol, XLogP of -0.82, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).