1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate

C15H19NO3 — CID 61277484

IUPAC1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OC1CCCc2ccccc21)[C@@H]1CC(O)CN1
InChIInChI=1S/C15H19NO3/c17-11-8-13(16-9-11)15(18)19-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,11,13-14,16-17H,3,5,7-9H2/t11?,13-,14?/m0/s1
InChIKeyKKRKCTANDHKVEL-QRMWWUJWSA-N
MW261.32 g/mol
LogP1.33
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate

1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 61277484) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID61277484
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OC1CCCc2ccccc21)[C@@H]1CC(O)CN1
InChIInChI=1S/C15H19NO3/c17-11-8-13(16-9-11)15(18)19-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,11,13-14,16-17H,3,5,7-9H2/t11?,13-,14?/m0/s1
InChIKeyKKRKCTANDHKVEL-QRMWWUJWSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetrahydronaphthalen-1-yl thiomorpholine-3-carboxylate
CID 82905096
4-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 43652030
(2R,4R)-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 124670344
1,2,3,4-tetrahydronaphthalen-1-yl 2-(azetidin-3-yl)acetate
CID 64603582
1,2,3,4-tetrahydronaphthalen-1-yl prop-2-enoate
CID 21316429
N-(2,3-dihydro-1H-inden-1-yl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119696998
[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl] benzoate
CID 100999748
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-1H-pyrazole-5-carboxylate
CID 64526040
1,2,3,4-tetrahydronaphthalen-1-yl 7-aminoheptanoate
CID 61279700
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] N-butylcarbamate
CID 102439446
1,2,3,4-tetrahydronaphthalen-1-yl 4-amino-3-methylbutanoate
CID 81072196

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate (CID 61277484) is 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate is O=C(OC1CCCc2ccccc21)[C@@H]1CC(O)CN1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is KKRKCTANDHKVEL-QRMWWUJWSA-N. The full InChI is InChI=1S/C15H19NO3/c17-11-8-13(16-9-11)15(18)19-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,11,13-14,16-17H,3,5,7-9H2/t11?,13-,14?/m0/s1.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate?
1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-1-yl (2S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 61277484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).