2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide

C16H24N2O3 — CID 95199115

IUPAC2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCC(C)CN1CC[C@@H](CNC(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-18-7-6-12(10-18)8-17-16(21)15-13(19)4-3-5-14(15)20/h3-5,11-12,19-20H,6-10H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyGBIRQQUAWLGXBI-LBPRGKRZSA-N
MW292.38 g/mol
LogP1.81
Rot. Bonds5

About 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide

2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 95199115) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID95199115
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCC(C)CN1CC[C@@H](CNC(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C16H24N2O3/c1-11(2)9-18-7-6-12(10-18)8-17-16(21)15-13(19)4-3-5-14(15)20/h3-5,11-12,19-20H,6-10H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyGBIRQQUAWLGXBI-LBPRGKRZSA-N
XLogP1.81
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 95226078
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 95193246
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91774516
N-tert-butyl-3-[[1-(2-methylpropyl)pyrrolidin-3-yl]methylcarbamoylamino]benzamide
CID 71854692
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 56705447
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(2,3,4-trifluorophenyl)acetamide
CID 95225668
6-(cyclopropylamino)-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028028
6-(cyclopropylamino)-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 29028030
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 95227489
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95214370
6-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 56720822
6-[3-(hydroxymethyl)phenyl]-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56862503

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide (CID 95199115) is 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide is CC(C)CN1CC[C@@H](CNC(=O)c2c(O)cccc2O)C1.
What is the InChIKey of 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is GBIRQQUAWLGXBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)9-18-7-6-12(10-18)8-17-16(21)15-13(19)4-3-5-14(15)20/h3-5,11-12,19-20H,6-10H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide?
2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95199115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).