2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide

C14H20N2O3 — CID 95208561

IUPAC2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CO)NC[C@H]1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O3/c17-10-14(19)15-7-12-4-5-16(9-12)8-11-2-1-3-13(18)6-11/h1-3,6,12,17-18H,4-5,7-10H2,(H,15,19)/t12-/m1/s1
InChIKeySUWLRNXIJNPLJI-GFCCVEGCSA-N
MW264.32 g/mol
LogP0.32
Rot. Bonds5

About 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide

2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 95208561) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID95208561
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CO)NC[C@H]1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O3/c17-10-14(19)15-7-12-4-5-16(9-12)8-11-2-1-3-13(18)6-11/h1-3,6,12,17-18H,4-5,7-10H2,(H,15,19)/t12-/m1/s1
InChIKeySUWLRNXIJNPLJI-GFCCVEGCSA-N
XLogP0.32
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95226196
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 61400257
2-amino-N-[[(3S)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyrimidine-4-carboxamide
CID 95223504
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]phenol
CID 114800587

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 95208561) is 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide is O=C(CO)NC[C@H]1CCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is SUWLRNXIJNPLJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-14(19)15-7-12-4-5-16(9-12)8-11-2-1-3-13(18)6-11/h1-3,6,12,17-18H,4-5,7-10H2,(H,15,19)/t12-/m1/s1.
What are the key properties of 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 264.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95208561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).