(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

C28H27NO5 — CID 167952092

IUPAC(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1Oc1ccccc1)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C28H27NO5/c30-23-16-25(29(17-23)27(31)21-14-13-19-8-6-9-20(19)15-21)28(32)33-18-22-7-4-5-12-26(22)34-24-10-2-1-3-11-24/h1-5,7,10-15,23,25,30H,6,8-9,16-18H2
InChIKeyQDZWWUVQJZXRHH-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.29
Rot. Bonds6

About (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate

(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 167952092) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID167952092
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1Oc1ccccc1)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C28H27NO5/c30-23-16-25(29(17-23)27(31)21-14-13-19-8-6-9-20(19)15-21)28(32)33-18-22-7-4-5-12-26(22)34-24-10-2-1-3-11-24/h1-5,7,10-15,23,25,30H,6,8-9,16-18H2
InChIKeyQDZWWUVQJZXRHH-UHFFFAOYSA-N
XLogP4.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 166303347
[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 167910990
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512
N-(2-cyanoethyl)-1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 167925608
(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 61162121
(2S,4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844015
methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 112632486
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
(2S)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61162120
methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
CID 115971048

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate (CID 167952092) is (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is O=C(OCc1ccccc1Oc1ccccc1)C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is QDZWWUVQJZXRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c30-23-16-25(29(17-23)27(31)21-14-13-19-8-6-9-20(19)15-21)28(32)33-18-22-7-4-5-12-26(22)34-24-10-2-1-3-11-24/h1-5,7,10-15,23,25,30H,6,8-9,16-18H2.
What are the key properties of (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate?
(2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 457.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)methyl 1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 167952092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).