(4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate

C14H19NO4 — CID 123770403

IUPAC(4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(COC(=O)C2CC(CO)CN2)cc1
InChIInChI=1S/C14H19NO4/c1-18-12-4-2-10(3-5-12)9-19-14(17)13-6-11(8-16)7-15-13/h2-5,11,13,15-16H,6-9H2,1H3
InChIKeyTZNADZOCCYOGAX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.71
Rot. Bonds5

About (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate

(4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate (PubChem CID 123770403) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
PubChem CID123770403
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOc1ccc(COC(=O)C2CC(CO)CN2)cc1
InChIInChI=1S/C14H19NO4/c1-18-12-4-2-10(3-5-12)9-19-14(17)13-6-11(8-16)7-15-13/h2-5,11,13,15-16H,6-9H2,1H3
InChIKeyTZNADZOCCYOGAX-UHFFFAOYSA-N
XLogP0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714789
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
cis-(1R,2S)-2-[(4-methoxyphenyl)methoxycarbonyl]cyclopropane-1-carboxylic acid
CID 166500685
(4-chlorophenyl)methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 65127144
(4-chlorophenyl)methyl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 65126834
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
(4-methoxyphenyl)methyl (2S,3R)-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 146030054
[(3S,4aR,6S,8aS)-6-[(4-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
CID 57266090
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate (CID 123770403) is (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate is COc1ccc(COC(=O)C2CC(CO)CN2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is TZNADZOCCYOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-4-2-10(3-5-12)9-19-14(17)13-6-11(8-16)7-15-13/h2-5,11,13,15-16H,6-9H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
(4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 123770403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).