[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol

C19H24N2O4 — CID 91315715

IUPAC[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(CN2CCC[C@H]2CO)cc1-c1cccc(N(O)O)c1
InChIInChI=1S/C19H24N2O4/c1-25-19-8-7-14(12-20-9-3-6-17(20)13-22)10-18(19)15-4-2-5-16(11-15)21(23)24/h2,4-5,7-8,10-11,17,22-24H,3,6,9,12-13H2,1H3/t17-/m0/s1
InChIKeyFICZDKOMZMQZPV-KRWDZBQOSA-N
MW344.41 g/mol
LogP2.90
Rot. Bonds6

About [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 91315715) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID91315715
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(CN2CCC[C@H]2CO)cc1-c1cccc(N(O)O)c1
InChIInChI=1S/C19H24N2O4/c1-25-19-8-7-14(12-20-9-3-6-17(20)13-22)10-18(19)15-4-2-5-16(11-15)21(23)24/h2,4-5,7-8,10-11,17,22-24H,3,6,9,12-13H2,1H3/t17-/m0/s1
InChIKeyFICZDKOMZMQZPV-KRWDZBQOSA-N
XLogP2.90
TPSA76.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 68790620
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one
CID 89122415
5-(hydroxymethyl)-1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
CID 58019898
1-[[3-[3-[hydroxy(oxido)amino]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-one
CID 88611873
[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]azepan-2-yl]methanol
CID 116634306
[1-[(4-methoxy-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637425
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
5-[[2-(hydroxymethyl)azepan-1-yl]methyl]-2-methoxybenzonitrile
CID 116634766
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol (CID 91315715) is [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol is COc1ccc(CN2CCC[C@H]2CO)cc1-c1cccc(N(O)O)c1.
What is the InChIKey of [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FICZDKOMZMQZPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-19-8-7-14(12-20-9-3-6-17(20)13-22)10-18(19)15-4-2-5-16(11-15)21(23)24/h2,4-5,7-8,10-11,17,22-24H,3,6,9,12-13H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 344.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 91315715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).